Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000534 (WOLTR: Wolbachia sp. subsp. Brugia malayi - Nov 2015)
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3D Models
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Full name of ligand selected in the comparative docking column:
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Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
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‹μMol
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‹mMol
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Query Sequence
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Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
ADP - [nb=300] --> ADENOSINE-5'-DIPHOSPHATE
NACID - [nb=228] --> 5'-D(P*TP*TP*T)-3'
NAD - [nb=139] --> .....MIDE-ADENINE-DINUCLEOTIDE
FAD - [nb=118] --> .....AVIN-ADENINE DINUCLEOTIDE
CHAIN - [nb=108] --> DNA
ATP - [nb=98] --> ADENOSINE-5'-TRIPHOSPHATE
GDP - [nb=90] --> GUANOSINE-5'-DIPHOSPHATE
PLP - [nb=89] --> PYRIDOXAL-5'-PHOSPHATE
FMN - [nb=69] --> FLAVIN MONONUCLEOTIDE
NDP - [nb=63] --> .....NE-DINUCLEOTIDE PHOSPHATE
ANP - [nb=58] --> .....ONIC ACID-ADENYLATE ESTER
AMP - [nb=54] --> ADENOSINE MONOPHOSPHATE
NAP - [nb=53] --> .....NE-DINUCLEOTIDE PHOSPHATE
HEM - [nb=42] --> .....ORPHYRIN IX CONTAINING FE
SF4 - [nb=39] --> IRON/SULFUR CLUSTER
CIT - [nb=39] --> CITRIC ACID
GOL - [nb=37] --> GLYCEROL
FMT - [nb=35] --> FORMIC ACID
FES - [nb=35] --> .....E2/S2 (INORGANIC) CLUSTER
COA - [nb=31] --> COENZYME A
GNP - [nb=29] --> .....ONIC ACID-GUANYLATE ESTER
AGS - [nb=25] --> .....ORIC ACID-ADENYLATE ESTER
UMP - [nb=25] --> .....YURIDINE 5'-MONOPHOSPHATE
UD1 - [nb=25] --> .....PHATE-N-ACETYLGLUCOSAMINE
F3S - [nb=24] --> FE3-S4 CLUSTER
EDO - [nb=24] --> 1,2-ETHANEDIOL
CHD - [nb=22] --> CHOLIC ACID
SAH - [nb=22] --> S-ADENOSYL-L-HOMOCYSTEINE
C5P - [nb=22] --> CYTIDINE-5'-MONOPHOSPHATE
PGA - [nb=21] --> 2-PHOSPHOGLYCOLIC ACID
NAI - [nb=21] --> .....MIDE ADENINE DINUCLEOTIDE
BB2 - [nb=18] --> ACTINONIN
2PG - [nb=17] --> 2-PHOSPHOGLYCERIC ACID
DUP - [nb=17] --> .....A,BETA-IMIDO-TRIPHOSPHATE
IMP - [nb=17] --> INOSINIC ACID
SAM - [nb=17] --> S-ADENOSYLMETHIONINE
PEP - [nb=17] --> PHOSPHOENOLPYRUVATE
ACY - [nb=15] --> ACETIC ACID
PNS - [nb=15] --> 4'-PHOSPHOPANTETHEINE
3PG - [nb=14] --> 3-PHOSPHOGLYCERIC ACID
CTN - [nb=14] --> .....ANOSYL-2(1H)-PYRIMIDINONE
U5P - [nb=14] --> URIDINE-5'-MONOPHOSPHATE
POP - [nb=13] --> PYROPHOSPHATE 2-
GLU - [nb=12] --> GLUTAMIC ACID
AT4 - [nb=12] --> .....OOXY)PHOSPHORYL]ADENOSINE
PGH - [nb=11] --> .....PHOGLYCOLOHYDROXAMIC ACID
5GP - [nb=11] --> .....UANOSINE-5'-MONOPHOSPHATE
IPE - [nb=11] --> .....L TRIHYDROGEN DIPHOSPHATE
HEC - [nb=11] --> HEME C
ACP - [nb=10] --> .....ONIC ACID ADENYLATE ESTER
KEU - [nb=10] --> .....]BENZOYL}-D-GLUTAMIC ACID
2PE - [nb=10] --> NONAETHYLENE GLYCOL
DTP - [nb=10] --> .....ADENOSINE 5'-TRIPHOSPHATE
GTP - [nb=9] --> GUANOSINE-5'-TRIPHOSPHATE
GCP - [nb=9] --> .....ONIC ACID GUANYLATE ESTER
NOV - [nb=9] --> NOVOBIOCIN
5RP - [nb=9] --> .....AR (RIBULOSE-5-PHOSPHATE)
FLC - [nb=9] --> CITRATE ANION
NLP - [nb=9] --> .....O-PENTYL)-PHOSPHONIC ACID
ASP - [nb=8] --> ASPARTIC ACID
TRS - [nb=8] --> .....XYMETHYL-PROPANE-1,3-DIOL
DUD - [nb=8] --> .....OXYURIDINE-5'-DIPHOSPHATE
SSA - [nb=8] --> .....ERYL)-SULFAMOYL)ADENOSINE
YSA - [nb=8] --> .....ROSYL)SULFAMOYL]ADENOSINE
SHF - [nb=7] --> LAEVULINIC ACID
MET - [nb=7] --> METHIONINE
DPM - [nb=7] --> .....RROL-3-YL}-PROPIONIC ACID
GPP - [nb=7] --> GERANYL DIPHOSPHATE
INI - [nb=7] --> .....,4(1H,3H)-PYRIMIDINEDIONE
DU - [nb=7] --> .....YURIDINE-5'-MONOPHOSPHATE
FOM - [nb=7] --> .....INO]PROPYLPHOSPHONIC ACID
SFG - [nb=7] --> SINEFUNGIN
GSH - [nb=7] --> GLUTATHIONE
ICT - [nb=7] --> ISOCITRIC ACID
UFP - [nb=6] --> .....YURIDINE-5'-MONOPHOSPHATE
UDP - [nb=6] --> URIDINE-5'-DIPHOSPHATE
TYD - [nb=6] --> THYMIDINE-5'-DIPHOSPHATE
TYR - [nb=6] --> TYROSINE
1AA - [nb=6] --> .....}OXY)PHOSPHINATO]CYTIDINE
3P1 - [nb=6] --> .....-YLMETHYL)AMINO]ADENOSINE
KT5 - [nb=6] --> .....MA-GLUTAMYL-GLUTAMIC ACID
TMP - [nb=6] --> THYMIDINE-5'-PHOSPHATE
CDP - [nb=6] --> CYTIDINE-5'-DIPHOSPHATE
MTA - [nb=5] --> .....XY-5'-METHYLTHIOADENOSINE
GAR - [nb=5] --> .....LYCINAMIDE RIBONUCLEOTIDE
F6R - [nb=5] --> FRUCTOSE -6-PHOSPHATE
8OD - [nb=5] --> .....SPHONO HYDROGEN PHOSPHATE
BMQ - [nb=5] --> .....FURANOSYL)BARBITURIC ACID
PRF - [nb=5] --> .....AZA-7-AMINOMETHYL-GUANINE
PIN - [nb=5] --> .....IS(2-ETHANESULFONIC ACID)
E4P - [nb=5] --> ERYTHOSE-4-PHOSPHATE
FPP - [nb=5] --> FARNESYL DIPHOSPHATE
TRP - [nb=5] --> TRYPTOPHAN
ADN - [nb=5] --> ADENOSINE
RES - [nb=5] --> .....-ERYTHRONOHYDROXAMIC ACID
RDL - [nb=5] --> .....5H-8-RIBITYLAMINOLUMAZINE
GSP - [nb=5] --> .....OSPHATE-MONOTHIOPHOSPHATE
RLP - [nb=5] --> .....ZINE-6-YL) PROPIONIC ACID
I22 - [nb=5] --> .....-HEPT-2-ULOSE 7-PHOSPHATE
SAP - [nb=5] --> .....OSPHATE MONOTHIOPHOSPHATE
TLG - [nb=4] --> .....N-1-YL]THIOPHEN-2(5H)-ONE
PAL - [nb=4] --> .....ONACETYL)-L-ASPARTIC ACID
XAM - [nb=4] --> .....ETA-D-RIBO-HEXOPYRANOSIDE
9L9 - [nb=4] --> .....YLAMINO]PENTANEDIOIC ACID
A3D - [nb=4] --> .....DINE ADENINE DINUCLEOTIDE
CP - [nb=4] --> .....ACID MONO(FORMAMIDE)ESTER
39H - [nb=4] --> .....[B,D]FURAN-2-YL)ACETAMIDE
XMP - [nb=4] --> .....NTHOSINE-5'-MONOPHOSPHATE
1A1 - [nb=4] --> .....L]CYCLOPROPANECARBOXAMIDE
PPV - [nb=4] --> PYROPHOSPHATE
TYM - [nb=4] --> TRYPTOPHANYL-5'AMP
PAH - [nb=4] --> .....PHONOACETOHYDROXAMIC ACID
PPS - [nb=4] --> .....SINE-5'-PHOSPHATE SULFATE
CP3 - [nb=4] --> COPROPORPHYRIN III
DPO - [nb=4] --> DIPHOSPHATE
FDE - [nb=4] --> .....(III) DEUTEROPORPHYRIN IX
AMO - [nb=4] --> .....DENOSINE-5'-MONOPHOSPHATE
MPD - [nb=4] --> .....-2-METHYL-2,4-PENTANEDIOL
B82 - [nb=4] --> .....RBONYL}AMINO)BENZOIC ACID
PHE - [nb=4] --> PHENYLALANINE
G6P - [nb=4] --> .....HA-D-GLUCOSE-6-PHOSPHATE)
CKR - [nb=4] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
A2P - [nb=4] --> .....ENOSINE-2'-5'-DIPHOSPHATE
3FD - [nb=4] --> .....ETHOXYMETHYL]BENZONITRILE
MKH - [nb=4] --> .....RIMIDINE-2,4(1H,3H)-DIONE
C - [nb=4] --> CYTIDINE-5'-MONOPHOSPHATE
G5A - [nb=4] --> .....GLYCYLSULFAMOYL)ADENOSINE
LMS - [nb=4] --> .....-FURANYL]METHYL SULFAMATE
BRU - [nb=4] --> .....YURIDINE-5'-MONOPHOSPHATE
ADE - [nb=4] --> ADENINE
2CR - [nb=4] --> .....clopentanecarboxylic acid
1CP - [nb=4] --> COPROPORPHYRIN I
RIS - [nb=3] --> .....IDENE BIS-PHOSPHONIC ACID
DOO - [nb=3] --> .....IMIDO[4,5-B]INDOL-8-AMINE
535 - [nb=3] --> .....,3]THIAZOLE-2-CARBOXYLATE
FFT - [nb=3] --> .....1-YL DIHYDROGEN PHOSPHATE
GLP - [nb=3] --> .....(GLUCOSAMINE 6-PHOSPHATE)
MNT - [nb=3] --> .....-ADENOSINE-5'-DIPHOSPHATE
SB7 - [nb=3] --> .....ENYLPROPYL)AMINO]METHANOL
FPS - [nb=3] --> .....IHYDROGEN THIODIPHOSPHATE
B29 - [nb=3] --> .....NO-ETHYL]-PHOSPHONIC ACID
A3P - [nb=3] --> .....ENOSINE-3'-5'-DIPHOSPHATE
CMP - [nb=3] --> .....',5'-CYCLIC-MONOPHOSPHATE
BB1 - [nb=3] --> .....,2-DIMETHYL-PROPYL)-AMIDE
LEU - [nb=3] --> LEUCINE
TBD - [nb=3] --> .....O DIPHOSPHATE (ISOMER RP)
R52 - [nb=3] --> 5-O-PHOSPHONO-D-RIBOSE
P6G - [nb=3] --> HEXAETHYLENE GLYCOL
3AN - [nb=3] --> ..... ADENOSINE-5'-DIPHOSPHATE
Q21 - [nb=3] --> .....NZOXAZOL-5-YL]PROPANAMIDE
G2P - [nb=3] --> .....ONIC ACID GUANYLATE ESTER
AO9 - [nb=3] --> .....YLCARBONYL)AMINO]CYTIDINE
BRR - [nb=3] --> .....MINO]METHYL}HEXANOIC ACID
LGP - [nb=3] --> .....-GUANINE-3'-MONOPHOSPHATE
P00 - [nb=3] --> .....NEAMINO]OXY-BUTANOIC ACID
PUL - [nb=3] --> .....-BETA-L-GALACTOPYRANOSIDE
F98 - [nb=3] --> .....INO]PROPYLPHOSPHONIC ACID
5SP - [nb=3] --> .....AR (RIBULOSE-5-PHOSPHATE)
MLC - [nb=3] --> MALONYL-COENZYME A
B08 - [nb=3] --> .....YL-ETHYL)-PHOSPHONIC ACID
GSU - [nb=3] --> .....AMYL-SULFAMOYL)-ADENOSINE
GLY - [nb=3] --> GLYCINE
FUM - [nb=3] --> FUMARIC ACID
HEA - [nb=3] --> HEME-A
GRG - [nb=3] --> .....ERANYLGERANYL DIPHOSPHATE
I5A - [nb=3] --> 5'-DEOXY-5'-IODOCYTIDINE
G1P - [nb=3] --> .....HA-D-GLUCOSE-1-PHOSPHATE)
DOR - [nb=3] --> .....IMIDINE-4-CARBOXYLIC ACID
F01 - [nb=3] --> .....-5-FLUORO-PYRIMIDIN-2-ONE
0O2 - [nb=3] --> .....(TRIHYDROGEN DIPHOSPHATE)
RS3 - [nb=3] --> .....IDIN-10(2H)-YL]-D-RIBITOL
PP9 - [nb=3] --> PROTOPORPHYRIN IX
2BJ - [nb=3] --> .....MOYL}-4-NITROBENZOIC ACID
LA8 - [nb=3] --> .....-ADENOSINE-5'-DIPHOSPHATE
J47 - [nb=2] --> .....DROXYPHENOXY)BENZONITRILE
DAL - [nb=2] --> D-ALANINE
NDE - [nb=2] --> .....OSYLPYRIDINIUM INNER SALT
TSB - [nb=2] --> .....ONYL)-SULFAMOYL)ADENOSINE
G5P - [nb=2] --> .....-GUANOSYL) PENTAPHOSPHATE
717 - [nb=2] --> .....[1,3]THIAZOL-6-YLMETHANOL
LSX - [nb=2] --> .....-OXOBUTYL]PHOSPHONIC ACID
KT3 - [nb=2] --> .....MA-GLUTAMYL-GLUTAMIC ACID
3BH - [nb=2] --> .....XYMETHYL)OXOLANE-3,4-DIOL
TUI - [nb=2] --> .....-4-YL)PHENOXY)ACETIC ACID
PDC - [nb=2] --> .....INE-2,6-DICARBOXYLIC ACID
2WU - [nb=2] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
FBP - [nb=2] --> FRUCTOSE-1,6-DIPHOSPHATE
3BK - [nb=2] --> .....XYMETHYL)OXOLANE-3,4-DIOL
FCD - [nb=2] --> .....L)FURAN-2-CARBOXYLIC ACID
IPR - [nb=2] --> ISOPENTYL PYROPHOSPHATE
2VF - [nb=2] --> .....RBAZOLE-2-CARBOXYLIC ACID
2BO - [nb=2] --> .....-4-yl}methyl)-L-threonine
3B9 - [nb=2] --> .....ROPYL]-4-PHENOXYBENZAMIDE
IB3 - [nb=2] --> .....-OXOBUTYL]PHOSPHONIC ACID
DCP - [nb=2] --> .....YCYTIDINE-5'-TRIPHOSPHATE
YE6 - [nb=2] --> .....YL)FURAN-2-CARBOHYDRAZIDE
RF7 - [nb=2] --> .....enylbutyl}phosphonic acid
FYA - [nb=2] --> .....PHENYLALANINOL-PHOSPHATE]
DOI - [nb=2] --> .....-(PHOSPHONOOXY)-9H-PURINE
AGI - [nb=2] --> .....YPHENYL)-4H-CHROMEN-4-ONE
48S - [nb=2] --> .....-oxobutyl]phosphonic acid
AIQ - [nb=2] --> .....HYL)-3H-QUINAZOLINE-4-ONE
FFO - [nb=2] --> .....)BENZOYL]-L-GLUTAMIC ACID
UMA - [nb=2] --> .....-ACETYLMURAMOYL-L-ALANINE
C2R - [nb=2] --> .....IDAZOLE-4-CARBOXYLIC ACID
L34 - [nb=2] --> .....NYLCARBONYL-GLUTAMIC ACID
1B3 - [nb=2] --> .....SULFONYL}-L-THREONINAMIDE
0CH - [nb=2] --> .....L TRIHYDROGEN DIPHOSPHATE
B28 - [nb=2] --> .....YL-ETHYL)-PHOSPHONIC ACID
40B - [nb=2] --> [HYDROXY(1,1'
BTN - [nb=2] --> BIOTIN
A5A - [nb=2] --> .....ANYL)-SULFAMOYL)ADENOSINE
IDN - [nb=2] --> .....THYRIDIN-3-YL)-ACRYLAMIDE
AFI - [nb=2] --> .....DROXY-1(2H)-NAPHTHALENONE
PMA - [nb=2] --> PYROMELLITIC ACID
DXP - [nb=2] --> .....Y-D-XYLULOSE-5-PHOSPHATE)
RPL - [nb=2] --> .....HYDANTOCIDIN 5'-PHOSPHATE
0CM - [nb=2] --> .....L TRIHYDROGEN DIPHOSPHATE
CTP - [nb=2] --> CYTIDINE-5'-TRIPHOSPHATE
3GO - [nb=2] --> .....ETHOXYMETHYL]BENZONITRILE
SER - [nb=2] --> SERINE
FM5 - [nb=2] --> .....NYL)PROPYLPHOSPHONIC ACID
UTP - [nb=2] --> URIDINE 5'-TRIPHOSPHATE
2VM - [nb=2] --> .....RBAZOLE-2-CARBOXYLIC ACID
R77 - [nb=2] --> .....enylhexyl]phosphonic acid
DS0 - [nb=2] --> .....-YL] DIHYDROGEN PHOSPHATE
G6Q - [nb=2] --> .....GAR (GLUCOSE-6-PHOSPHATE)
GNR - [nb=2] --> .....-2-YL)-N-HYDROXYACETAMIDE
TLH - [nb=2] --> .....L)ETHANOYL]THIOPHEN-2-ONE
G3P - [nb=2] --> SN-GLYCEROL-3-PHOSPHATE
1B2 - [nb=2] --> .....SULFONYL}-L-THREONINAMIDE
21X - [nb=2] --> .....]PYRIMIDINE-5-CARBOXAMIDE
FON - [nb=2] --> FOLINIC ACID
PMN - [nb=2] --> PLATENSIMYCIN
2RA - [nb=2] --> 3-AMINO-D-ALANINE
C0K - [nb=2] --> .....-OXOBUTYL}PHOSPHONIC ACID
G4P - [nb=2] --> .....SINE-5',3'-TETRAPHOSPHATE
PCP - [nb=2] --> .....TANE-METHANOL-5-PHOSPHATE
COH - [nb=2] --> .....ORPHYRIN IX CONTAINING CO
CYS - [nb=2] --> CYSTEINE
ME8 - [nb=2] --> .....-METHYLSULFANYL-BUTANOATE
PLG - [nb=2] --> .....HYL-PYRIDIN-4-YL-METHANE]
IMD - [nb=2] --> IMIDAZOLE
AIR - [nb=2] --> .....OIMIDAZOLE RIBONUCLEOTIDE
21W - [nb=2] --> .....]PYRIMIDINE-5-CARBOXAMIDE
TZN - [nb=2] --> .....HYDROFURAN-2-YL]METHANONE
CBQ - [nb=2] --> .....O-METHYL]-PHOSPHONIC ACID
U12 - [nb=2] --> .....AZO)-5H-PYRAZOL-3-YLAMINE
PYR - [nb=2] --> PYRUVIC ACID
FM6 - [nb=2] --> .....NO]PROPYL]PHOSPHONIC ACID
MAP - [nb=2] --> .....DENYLY-IMIDO-TRIPHOSPHATE
0K2 - [nb=2] --> .....L TRIHYDROGEN DIPHOSPHATE
FOB - [nb=2] --> .....YL)PROPYL]PHOSPHONIC ACID
322 - [nb=2] --> .....AZOLIDIN-3-YL]ACETIC ACID
COD - [nb=2] --> DEPHOSPHO COENZYME A
G16 - [nb=2] --> .....GLUCOSE 1,6-BISPHOSPHATE)
ALO - [nb=2] --> ALLO-THREONINE
191 - [nb=2] --> PROPIONYL COENZYME A
MLN - [nb=2] --> .....L-L-LEUCYL-P-NITROANILIDE
CAR - [nb=2] --> .....NE ARABINOSE-5'-PHOSPHATE
P5A - [nb=2] --> .....OLYL)-SULFAMOYL)ADENOSINE
PBG - [nb=2] --> .....YRROL-3-YL]PROPANOIC ACID
GAX - [nb=2] --> .....-3-(1,3-THIAZOL-2-YL)UREA
BDE - [nb=2] --> .....THYLENE]NICOTINOHYDRAZIDE
C2E - [nb=2] --> .....AHYDRO-2H,7H-DIFURO[3,2-D
5CA - [nb=2] --> .....INYL)-SULFAMOYL)ADENOSINE
2RB - [nb=2] --> .....]-4-METHOXYBENZOHYDRAZIDE
SM8 - [nb=2] --> SIMOCYCLINONE D8
2E7 - [nb=2] --> .....L TRIHYDROGEN DIPHOSPHATE
Q02 - [nb=2] --> .....yl)methyl]phosphonic acid
RLI - [nb=2] --> .....L-2-YL]AMINO}BENZOIC ACID
IKY - [nb=2] --> .....1,3-OXAZOLE-4-CARBOXAMIDE
2EY - [nb=2] --> .....ETHOXY}QUINOLIN-2(1H)-ONE
2VG - [nb=2] --> .....RBAZOLE-2-CARBOXYLIC ACID
11C - [nb=2] --> .....)-2-AMINOHEXANEDIOIC ACID
CDM - [nb=2] --> .....L-2-C-METHYL-D-ERYTHRITOL
Q08 - [nb=2] --> .....pylpentyl]phosphonic acid
829 - [nb=2] --> .....YLCARBONYL)AMINO]CYTIDINE
1X9 - [nb=2] --> CERULENIN
UDT - [nb=2] --> .....YL HYDROGEN THIOCARBONATE
4BB - [nb=2] --> .....ETHYLIDENE]BENZOHYDRAZIDE
A - [nb=2] --> .....DENOSINE-5'-MONOPHOSPHATE
IMB - [nb=2] --> .....O-METHYL]-PHOSPHONIC ACID
QUE - [nb=2] --> .....3',4'-PENTAHYDROXYFLAVONE
3F5 - [nb=2] --> .....-8-(METHYLAMINO)ADENOSINE
DCT - [nb=2] --> .....YCYTIDINE 5'-TRIPHOSPHATE
3JL - [nb=2] --> .....ENE-1,2-DICARBOXYLIC ACID
VZZ - [nb=2] --> .....BONYL)OXY]UNDECANOIC ACID
2E5 - [nb=2] --> .....L TRIHYDROGEN DIPHOSPHATE
RC5 - [nb=2] --> .....nylpentyl]phosphonic acid
FMR - [nb=2] --> FUMARATE
FDA - [nb=2] --> .....VINE-ADENINE DINUCLEOTIDE
CT0 - [nb=2] --> .....2-(THIAZOL-2-YL)OXALAMIDE
AGP - [nb=2] --> .....MINO GLUCITOL-6-PHOSPHATE
DAO - [nb=2] --> LAURIC ACID
Y10 - [nb=2] --> .....MIDE (NON-PREFERRED NAME)
DCN - [nb=2] --> DICLOSAN
PMP - [nb=2] --> .....INOPYRIDOXAL-5'-PHOSPHATE
PHY - [nb=2] --> .....HOSPHORYL-PHOSPHINIC ACID
1XG - [nb=2] --> .....-OXODODECA-7,10-DIENAMIDE
X16 - [nb=2] --> .....SULFONYL}-L-THREONINAMIDE
2VD - [nb=2] --> .....RBAZOLE-2-CARBOXYLIC ACID
Q07 - [nb=2] --> .....hylpentyl]phosphonic acid
HHV - [nb=2] --> .....1H-PYRAZOLE-4-CARBOXAMIDE
NAJ - [nb=2] --> .....INUCLEOTIDE (ACIDIC FORM)
LMR - [nb=2] --> .....2-HYDROXYBUTANEDIOIC ACID
4PS - [nb=2] --> 4'-DIPHOSPHO PANTETHEINE
TLA - [nb=2] --> L(+)-TARTARIC ACID
25A - [nb=2] --> .....ONOPHOSPHORYLADENYLYL(2'-
B75 - [nb=2] --> .....NE-1,1-BISPHOSPHONIC ACID
ACE - [nb=2] --> ACETYL GROUP
4NO - [nb=2] --> .....O-2-PHOSPHONOBENZOIC ACID
2BE - [nb=2] --> .....ETHYLIDENE]BENZOHYDRAZIDE
743 - [nb=2] --> .....XOCYCLOHEXANECARBONITRILE
2V6 - [nb=2] --> .....O[1,5-A]PYRIMIDIN-7-AMINE
OCA - [nb=2] --> .....NOIC ACID (CAPRYLIC ACID)
ENX - [nb=2] --> ENACYLOXIN IIA
DG3 - [nb=2] --> .....GUANOSINE-5'-TRIPHOSPHATE
T3P - [nb=2] --> THYMIDINE-3'-PHOSPHATE
ZDP - [nb=2] --> .....2-METHYLHEPTANEDIOIC ACID
EPU - [nb=2] --> .....LUCOSAMINYL) BUTYRIC ACID
R5P - [nb=2] --> .....UGAR (RIBOSE-5-PHOSPHATE)
0O3 - [nb=2] --> .....L TRIHYDROGEN DIPHOSPHATE
2BB - [nb=2] --> .....ETHYLPROPYL)BUTANEDIAMIDE
DDS - [nb=2] --> .....OXYADENOSINE TRIPHOSPHATE
ABM - [nb=2] --> .....ONIC ACID ADENOSINE ESTER
34F - [nb=2] --> .....NO]PROPYL}PHOSPHONIC ACID
409 - [nb=2] --> .....SULFONYL}-L-THREONINAMIDE
BIH - [nb=2] --> .....ALENE-2,6-DISULFONIC ACID
CRM - [nb=2] --> .....RIDIN-6-YL]PROPANOIC ACID
0CG - [nb=2] --> .....L TRIHYDROGEN DIPHOSPHATE
PRO - [nb=1] --> PROLINE
H5P - [nb=1] --> HYDANTOCIDIN-5'-PHOSPHATE
H6P - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
IVH - [nb=1] --> .....-(BUTYLSULFANYL)ADENOSINE
Y16 - [nb=1] --> .....IS(OXIDANYL)NON-6-ENAMIDE
MRC - [nb=1] --> MUPIROCIN
ZED - [nb=1] --> .....OPYL]-4-(PHENYLTHIO)-, 4S
2LG - [nb=1] --> .....IETHYLSULFAMOYL-BENZAMIDE
62D - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
CBN - [nb=1] --> CLOROBIOCIN
NIA - [nb=1] --> .....THYL DIHYDROGEN PHOSPHATE
CJH - [nb=1] --> .....L)-3-HYDROXYBUT-2-ENAMIDE
ILA - [nb=1] --> .....-[ADENOSYL]-DIAMINOSUFONE
ICA - [nb=1] --> .....SOCITRATE CALCIUM COMPLEX
4OX - [nb=1] --> 4-OXODECANEDIOIC ACID
AAQ - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
TFD - [nb=1] --> .....N-2-YL]ETHANE-1,2-DIAMINE
LYS - [nb=1] --> LYSINE
U14 - [nb=1] --> .....ZOL-4-YLAZO)-BENZOIC ACID
THR - [nb=1] --> THREONINE
2BC - [nb=1] --> .....HTHALENE-2-CARBOHYDRAZIDE
B46 - [nb=1] --> .....ZOL-3-YL]METHYL}CARBAMATE
0XS - [nb=1] --> .....PHTHYRIDINE-3-CARBOXAMIDE
U15 - [nb=1] --> .....OYL]-D-ALANYL-D-LEUCINATE
2EJ - [nb=1] --> .....OPYL}-3-THIOPHEN-3-YLUREA
AP2 - [nb=1] --> .....HONIC ACID ADENOSYL ESTER
M1P - [nb=1] --> .....R (D-MANNOSE 1-PHOSPHATE)
M6P - [nb=1] --> .....PHA-D-MANNOSE-6-PHOSPHATE
1PN - [nb=1] --> .....ENEM-3-CARBOXYLATEPROPANE
TBU - [nb=1] --> TERTIARY-BUTYL ALCOHOL
URI - [nb=1] --> URIDINE
XSP - [nb=1] --> .....OSPHONOOXY)PROPANOIC ACID
CDF - [nb=1] --> CYTIDINE-5'-DIPHOSPHATE
FZ1 - [nb=1] --> .....(PYRIDIN-2-YL)QUINAZOLINE
2SA - [nb=1] --> .....-6-YLAMINO]-SUCCINIC ACID
ATF - [nb=1] --> .....ONIC ACID-ADENYLATE ESTER
POI - [nb=1] --> .....-4-YL}METHYL)-L-ORNITHINE
NPI - [nb=1] --> 2-AMINOPIMELIC ACID
545 - [nb=1] --> .....- ACETIC ACID BUTYL ESTER
MAQ - [nb=1] --> .....ETHYLQUINAZOLIN-4(3H)-ONE
DUT - [nb=1] --> .....XYURIDINE-5'-TRIPHOSPHATE
12T - [nb=1] --> .....ENE-1,4-DICARBOXYLIC ACID
0EX - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
344 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
FUP - [nb=1] --> .....-URIDIDINE-5'-DIPHOSPHATE
7RD - [nb=1] --> .....N-1-YL)THIOPHEN-2(5H)-ONE
22L - [nb=1] --> .....2,3-D]PYRIMIDIN-4(3H)-ONE
MFX - [nb=1] --> .....INOLINE-3-CARBOXYLIC ACID
0N5 - [nb=1] --> .....YL)AMINO]PHENYL}BENZAMIDE
PML - [nb=1] --> PIMELIC ACID
FLQ - [nb=1] --> .....'-XANTHENE]-6-CARBOXAMIDE
3JM - [nb=1] --> .....ENE-1,2-DICARBOXYLIC ACID
0V5 - [nb=1] --> .....OSPHONOOXY)PROPANOIC ACID
AYM - [nb=1] --> .....OL-2-YL)METHYL]ACRYLAMIDE
FEO - [nb=1] --> MU-OXO-DIIRON
A12 - [nb=1] --> .....HONIC ACID ADENOSYL ESTER
629 - [nb=1] --> .....ERIDIN-2-YL)- ACETIC ACID
0V2 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
U11 - [nb=1] --> .....PROPANOYL}ALANYLGLYCINATE
AKG - [nb=1] --> 2-OXOGLUTARIC ACID
NDO - [nb=1] --> .....E)-DINUCLEOTIDE PHOSPHATE
AE6 - [nb=1] --> .....,8-NAPHTHYRIDIN-2(1H)-ONE
0WY - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
APC - [nb=1] --> .....HONIC ACID ADENOSYL ESTER
DMA - [nb=1] --> DIMETHYLALLYL DIPHOSPHATE
PK3 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
MF3 - [nb=1] --> .....THYLSULFANYL-BUTYRIC ACID
A04 - [nb=1] --> .....OXY)PHENYL]-2-FUROIC ACID
3JN - [nb=1] --> .....ENE-1,2-DICARBOXYLIC ACID
4BE - [nb=1] --> .....ETHYLIDENE]BENZOHYDRAZIDE
PK2 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
GN1 - [nb=1] --> .....NO-ALPHA-D-GLUCOPYRANOSE)
PPE - [nb=1] --> .....PHONOOXYMETHYL-PYRIDINIUM
2MQ - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
L5Y - [nb=1] --> .....YRIDIN-4-YL]AMINO}ETHANOL
4FC - [nb=1] --> .....IPHENYL-4-CARBOXYLIC ACID
5C1 - [nb=1] --> .....1,3-OXAZOLE-2-CARBOXAMIDE
1AY - [nb=1] --> .....O)ETHYL)PYRIMIDIN-4-AMINE
IPA - [nb=1] --> ISOPROPYL ALCOHOL
MPH - [nb=1] --> .....L-PROPYL)-PHOSPHONIC ACID
0RA - [nb=1] --> .....-YL)PHENYL]PROPANOIC ACID
2B7 - [nb=1] --> .....-YL]-3-PROP-2-EN-1-YLUREA
HJ3 - [nb=1] --> .....OLIDINE-4-CARBOXYLIC ACID
MPJ - [nb=1] --> .....L-PROPYL)-PHOSPHINIC ACID
1UQ - [nb=1] --> .....YL)METHYL]PHOSPHONIC ACID
TPP - [nb=1] --> THIAMINE DIPHOSPHATE
3BJ - [nb=1] --> .....,3,5-TRIAZINE-2,4-DIAMINE
3BD - [nb=1] --> .....]PYRIMIDINE-6-CARBOXAMIDE
0L6 - [nb=1] --> .....TRAHYDROGEN TRIPHOSPHATE)
7NP - [nb=1] --> .....hydronaphthalen-1(2H)-one
UVW - [nb=1] --> ACETYLPHOSPHATE
MRD - [nb=1] --> .....-2-METHYLPENTANE-2,4-DIOL
GUN - [nb=1] --> GUANINE
LZS - [nb=1] --> .....RIFLUOROETHANESULFONAMIDE
1SF - [nb=1] --> .....RIMIDINE-2,4(1H,3H)-DIONE
B23 - [nb=1] --> .....ITROPHENYL)-2-FUROIC ACID
TET - [nb=1] --> .....OSPHONOOXY)PROPIONIC ACID
2HU - [nb=1] --> 5-NITRO-1H-INDOLE
ALA - [nb=1] --> ALANINE
SHO - [nb=1] --> 5-HYDROXYLAEVULINIC ACID
B76 - [nb=1] --> [1-HYDROXY-2-(1,1'
C8E - [nb=1] --> .....YLOXY)TRI(ETHYLOXY)OCTANE
T07 - [nb=1] --> .....-4H-1,2,4-TRIAZOL-3-AMINE
YE7 - [nb=1] --> .....UINOLINE-2-CARBOHYDRAZIDE
0CN - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
DPR - [nb=1] --> D-PROLINE
A18 - [nb=1] --> .....LOROBENZYL)-2-FUROIC ACID
138 - [nb=1] --> .....-PROPANYLAMINO]-ACETAMIDE
4S4 - [nb=1] --> .....nyl]amino}benzoyl)glycine
28G - [nb=1] --> .....-YL}-3-PROP-2-EN-1-YLUREA
Y08 - [nb=1] --> .....IS(OXIDANYL)NON-6-ENAMIDE
2J2 - [nb=1] --> .....RBAZOLE-1-CARBOXYLIC ACID
18W - [nb=1] --> .....YRROL-3-YL]PROPANOIC ACID
COZ - [nb=1] --> COENZYME A
SCB - [nb=1] --> .....HYL}-2-FURYL)BENZOIC ACID
2E4 - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
X1P - [nb=1] --> .....HONO-ALPHA-D-XYLOPYRANOSE
28F - [nb=1] --> .....O[5,4-B]PYRIDIN-2-YL}UREA
KIR - [nb=1] --> KIRROMYCIN
0EV - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
0WE - [nb=1] --> .....THYRIDIN-3-YL)PROPANAMIDE
6NA - [nb=1] --> HEXANOIC ACID
R1P - [nb=1] --> .....UGAR (RIBOSE-1-PHOSPHATE)
OYA - [nb=1] --> OCTANAL
1X8 - [nb=1] --> .....YRIDINE-2,7-DICARBOXAMIDE
SAK - [nb=1] --> .....-DIHYDRO-4H-CHROMEN-4-ONE
APR - [nb=1] --> .....ENOSINE-5-DIPHOSPHORIBOSE
NVG - [nb=1] --> .....NOSYL)PYRIMIDIN-2(1H)-ONE
DAV - [nb=1] --> DELTA-AMINO VALERIC ACID
TYA - [nb=1] --> .....ESTER ADENOSIN-5'YL ESTER
27O - [nb=1] --> .....HALEN-1-YL)PROPANOIC ACID
NIC - [nb=1] --> NITROISOCITRIC ACID
26P - [nb=1] --> 2-AMINO-6-OXOPIMELIC ACID
3PY - [nb=1] --> 3-HYDROXYPYRUVIC ACID
TAP - [nb=1] --> .....NE-DINUCLEOTIDE PHOSPHATE
L5V - [nb=1] --> .....2,4-TRIAZOL-3-YL)PYRAZINE
129 - [nb=1] --> .....O)-ETHYL]-PHOSPHONIC ACID
IYR - [nb=1] --> 3-IODO-TYROSINE
LZK - [nb=1] --> .....-D]PYRIMIDINE-2,7-DIAMINE
0L4 - [nb=1] --> .....O[2,3-D]PYRIMIDIN-4-AMINE
Q04 - [nb=1] --> .....exylethyl]phosphonic acid
BCE - [nb=1] --> .....NO-3-HYDROXYBUT-2-ENAMIDE
654 - [nb=1] --> .....ETHYLBENZYL)-1H-IMIDAZOLE
SON - [nb=1] --> .....SINE PHOSPHONOACETIC ACID
FA5 - [nb=1] --> .....PHENYLALANINYL-PHOSPHATE]
U17 - [nb=1] --> .....NOYL]-L-SERYL-L-LEUCINATE
TFV - [nb=1] --> .....N-2-YL]ETHANE-1,2-DIAMINE
DQB - [nb=1] --> .....NZOYL)AMINO]BUTANOIC ACID
Y7Y - [nb=1] --> .....D]IMIDAZOLE-1-CARBOXYLATE
SFK - [nb=1] --> .....ENTANOYL)-L-PHENYLALANINE
2E6 - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
TLM - [nb=1] --> THIOLACTOMYCIN
L24 - [nb=1] --> .....L]-CARBONYL-GLUTAMIC ACID
1YP - [nb=1] --> .....-3,3'-BIPYRIDIN-6-YL}UREA
0WX - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
FM8 - [nb=1] --> .....NO}PROPYL]PHOSPHONIC ACID
2GN - [nb=1] --> .....PHOLINOSULFONYL)BENZAMIDE
QEI - [nb=1] --> .....OLO[2,3-D]PYRIMIDIN-4-ONE
5AL - [nb=1] --> .....ROXY)PHOSPHORYL]ADENOSINE
IMJ - [nb=1] --> .....RIDIN-3-YL)PROP-2-ENAMIDE
HM4 - [nb=1] --> .....YL]PYRIDIN-3-YL}CARBAMATE
TMG - [nb=1] --> .....OL-4-YL)-1H-BENZIMIDAZOLE
IGM - [nb=1] --> .....IN-4-YLSULFONYL-BENZAMIDE
DCV - [nb=1] --> .....YL)PROPYL]PHOSPHONIC ACID
MTY - [nb=1] --> META-TYROSINE
Q06 - [nb=1] --> .....tylpropyl]phosphonic acid
840 - [nb=1] --> PLATENSIMYCIN A1
5AS - [nb=1] --> .....ETHYL-SULFAMOYL)ADENOSINE
KAH - [nb=1] --> .....NO-4-HYDROXYHEXANOIC ACID
GPX - [nb=1] --> .....ANOSINE 5'-DIPHOSPHATE 2'
PLU - [nb=1] --> LEUCINE PHOSPHONIC ACID
2HQ - [nb=1] --> .....HLORO-1H-INDOLE-2,3-DIONE
RVP - [nb=1] --> RIBAVIRIN MONOPHOSPHATE
27R - [nb=1] --> .....ENZOYL)PHENYL]ACETIC ACID
ACO - [nb=1] --> ACETYL COENZYME *A
MSJ - [nb=1] --> .....N-2-YL}BENZENESULFONAMIDE
UQ2 - [nb=1] --> UBIQUINONE-2
AEK - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
ASN - [nb=1] --> ASPARAGINE
Y02 - [nb=1] --> .....MIDE (NON-PREFERRED NAME)
TP6 - [nb=1] --> .....ETRIONE-7-YL) 1-PHOSPHATE
1LG - [nb=1] --> .....INE-4-SULFONYL)-BENZAMIDE
QMS - [nb=1] --> .....N-8-YL)METHANESULFONAMIDE
HAD - [nb=1] --> .....YDROXYAMINO)ETHANOIC ACID
4JG - [nb=1] --> .....1,3-THIAZOL-5-YL]ETHANONE
0KL - [nb=1] --> .....TRAHYDROGEN TRIPHOSPHATE)
CFX - [nb=1] --> CEFOXITIN
485 - [nb=1] --> .....-PYRAN-2-YL)- ACETIC ACID
0R6 - [nb=1] --> .....TRAHYDROGEN TRIPHOSPHATE)
W29 - [nb=1] --> .....HEN-2-YL)BENZENE-1,2-DIOL
TH9 - [nb=1] --> .....OXY-4-OXOBUT-2-ENOIC ACID
T03 - [nb=1] --> .....LFANYL]-4H-1,2,4-TRIAZOLE
HXZ - [nb=1] --> .....TRAHYDROGEN TRIPHOSPHATE)
CER - [nb=1] --> .....ANS,TRANS-DODECADIENAMIDE
RB5 - [nb=1] --> SUGAR (D-XYLITOL)
1S8 - [nb=1] --> .....YL)AMINO]PHENYL}BENZAMIDE
6NI - [nb=1] --> 6-NITROINDAZOLE
AOS - [nb=1] --> SUGAR (D-ALLOSE)
0R7 - [nb=1] --> .....SPHONO HYDROGEN PHOSPHATE
EMO - [nb=1] --> .....8-TRIHYDROXYANTHRAQUINONE
0JX - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
P9A - [nb=1] --> .....2,4-DIHYDROXYBENZOIC ACID
FC3 - [nb=1] --> .....HYL)PHENYL]-2-FUROIC ACID
3GQ - [nb=1] --> .....-1,2,3-TRICARBOXYLIC ACID
10G - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
FOU - [nb=1] --> .....RIMIDINE-2,4(1H,3H)-DIONE
GVS - [nb=1] --> .....H)-YL]OXETAN-3-YL}ACETATE
BHB - [nb=1] --> .....THYL)-3H-QUINAZOLIN-4-ONE
SCA - [nb=1] --> SUCCINYL-COENZYME A
N32 - [nb=1] --> .....X-1-ENE-1-CARBOXYLIC ACID
A05 - [nb=1] --> .....ITROPHENYL)-2-FUROIC ACID
SCO - [nb=1] --> SUCCINAMIDE-COA
FC2 - [nb=1] --> .....LOROPHENYL)-2-FUROIC ACID
10E - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
DXY - [nb=1] --> .....CARBONYL)-L-GLUTAMIC ACID
H78 - [nb=1] --> .....ONO-ETHYL]PHOSPHONIC ACID
0L5 - [nb=1] --> .....TRAHYDROGEN TRIPHOSPHATE)
GLN - [nb=1] --> GLUTAMINE
U13 - [nb=1] --> .....MINO-5H-PYRAZOL-3-YLAMINE
B21 - [nb=1] --> .....HOXYPHENYL)-2-FUROIC ACID
200 - [nb=1] --> 4-CHLORO-L-PHENYLALANINE
A26 - [nb=1] --> .....THYL)PHENYL]BUT-2-ENAMIDE
1X7 - [nb=1] --> .....-C]PYRIDINE-7-CARBOXAMIDE
DSB - [nb=1] --> 4,7-DIOXOSEBACIC ACID
FCN - [nb=1] --> FOSFOMYCIN
U16 - [nb=1] --> .....OYL]-D-ALANYL-D-LEUCINATE
NVC - [nb=1] --> .....HEXYL]-N-HYDROXYFORMAMIDE
BO9 - [nb=1] --> .....OXY)CARBONYL-L-LYSINAMIDE
MIC - [nb=1] --> .....LPHA-METHYLISOCITRIC ACID
PEG - [nb=1] --> DI(HYDROXYETHYL)ETHER
3NP - [nb=1] --> 3-NITROPROPANOIC ACID
8OX - [nb=1] --> .....OLAN-2-YL]-7H-PURIN-8-ONE
SHX - [nb=1] --> .....4-YL]-D-PHENYLALANINAMIDE
DAH - [nb=1] --> .....,4-DIHYDROXYPHENYLALANINE
0LA - [nb=1] --> .....BAZOL-2-YL)PROPANOIC ACID
BME - [nb=1] --> BETA-MERCAPTOETHANOL
ZDR - [nb=1] --> .....2-METHYLHEPTANEDIOIC ACID
L37 - [nb=1] --> .....L]-CARBONYL-GLUTAMIC ACID
0V3 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
N3A - [nb=1] --> .....PANOYL}AMINO)BENZOIC ACID
NTC - [nb=1] --> .....NITROMETHYL SUCCINIC ACID
IPM - [nb=1] --> 3-ISOPROPYLMALIC ACID
0O1 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
AQP - [nb=1] --> .....ENOSINE-5'-TETRAPHOSPHATE
AYC - [nb=1] --> ALAREMYCIN 2
AFQ - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
2VE - [nb=1] --> .....RBAZOLE-2-CARBOXYLIC ACID
10D - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
0OX - [nb=1] --> .....)PYRIMIDINE-5-CARBOXAMIDE
OC9 - [nb=1] --> OCTAN-1-OL
8OP - [nb=1] --> .....THYL DIHYDROGEN PHOSPHATE
LZR - [nb=1] --> .....THOXYQUINAZOLIN-4(3H)-ONE
H1L - [nb=1] --> .....XY}PHENOXY)PROPANOIC ACID
PVP - [nb=1] --> .....YL]PIPERAZIN-1-YL}ETHANOL
0OV - [nb=1] --> .....DIN-8(5H)-YL]ACETONITRILE
S60 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
RBF - [nb=1] --> RIBOFLAVIN
KMB - [nb=1] --> .....ETHYL-3H-QUINAZOLIN-4-ONE
AHX - [nb=1] --> .....E-ADENOSINE MONOPHOSPHATE
6X1 - [nb=1] --> .....BAMOYL]AMINO}BENZOIC ACID
TTJ - [nb=1] --> .....1,4-dioxane-2-carboxamide
V12 - [nb=1] --> .....L)AMINO]-5'-DEOXYCYTIDINE
Q03 - [nb=1] --> .....yl)methyl]phosphonic acid
3BG - [nb=1] --> .....L}PIPERAZIN-1-YL)ETHANONE
MAU - [nb=1] --> N-METHYL KIRROMYCIN
HRD - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
3BE - [nb=1] --> .....ETHYLIDENE]BENZOHYDRAZIDE
PPR - [nb=1] --> PHOSPHONOPYRUVATE
AQO - [nb=1] --> .....AMINOQUINAZOLIN-4(3H)-ONE
PQ0 - [nb=1] --> .....PYRIMIDINE-5-CARBONITRILE
RWX - [nb=1] --> .....HIAZOLE-5-CARBOXYLIC ACID
0R5 - [nb=1] --> .....TRAHYDROGEN TRIPHOSPHATE)
BG6 - [nb=1] --> .....TA-D-GLUCOSE-6-PHOSPHATE)
1S9 - [nb=1] --> .....OLIN-7-YL)OXY]ACETIC ACID
8BR - [nb=1] --> .....DENOSINE-5'-MONOPHOSPHATE
NHD - [nb=1] --> .....E PURIN-6-OL-DINUCLEOTIDE
HM2 - [nb=1] --> .....DIN-2-YLPYRIMIDIN-4-AMINE
HM5 - [nb=1] --> .....-YLPYRIDINE-2-CARBOXAMIDE
826 - [nb=1] --> .....XY-2H-PYRIDO[3,4-B]INDOLE
P9C - [nb=1] --> .....2,4-DIHYDROXYBENZOIC ACID
DXZ - [nb=1] --> .....CARBONYL)-L-GLUTAMIC ACID
3B8 - [nb=1] --> .....-B]PYRIDINE-3-CARBOXAMIDE
YZ6 - [nb=1] --> .....IS(OXIDANYL)NON-6-ENAMIDE
0OW - [nb=1] --> .....}PYRIMIDINE-5-CARBOXAMIDE
RPD - [nb=1] --> .....HYDANTOCIDIN 5'-PHOSPHATE
03U - [nb=1] --> .....OROBIPHENYL-2-CARBOXYLATE
3BA - [nb=1] --> .....]PYRIMIDINE-6-CARBOXAMIDE
2HO - [nb=1] --> 3,4-DIFLUOROBENZAMIDE
FM7 - [nb=1] --> .....NO]PROPYL]PHOSPHONIC ACID
U19 - [nb=1] --> .....AZO)-5H-PYRAZOL-3-YLAMINE
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
100
Wbm0647
20
55%
0.400
PF04998
59 -
(0)
0
- / - / -
0
101
Wbm0056
6
55%
0.620
PF03937
4 -
(0)
?
- / - / -
0
102
Wbm0108
20
55%
0.467
PF02817
28 -
(28)
?
- / - / -
0
103
Wbm0220
25
55%
0.616
PF00081
5 -
(5)
2
- / - / -
0
104
Wbm0773
18
55%
0.526
PF00271
C5_S1
20 -
(0)
3
4
/
3
/
1
0
105
Wbm0527
41
55%
0.520
PF00478
C3_S1
55 -
(36)
14
- /
11
/
17
3
106
Wbm0507
36
54%
0.619
PF00111
C6_S1
84 -
(84)
2
- / - /
32
1
107
Wbm0566
40
54%
0.628
PF07992
C2_S1
113 -
(99)
11
17
/
9
/
6
3
108
Wbm0472
26
54%
0.547
PF07973
C1_S1
28 -
(11)
14
1
/
15
/
2
8
109
Wbm0077
20
54%
0.562
PF00587
C1_S1
32 -
(26)
?
- /
2
/ -
0
110
Wbm0361
24
54%
0.550
PF07973
C1_S1
24 -
(22)
14
2
/
4
/
7
6
111
Wbm0048
19
54%
0.567
PF01965
8 -
(0)
?
- / - / -
0
112
Wbm0032
17
54%
0.488
PF01926
C1_S1
64 -
(0)
3
- /
5
/ -
2
113
Wbm0310
26
54%
0.623
PF00106
C1_S1
41 -
(29)
7
2
/
1
/
1
2
114
Wbm0667
20
54%
0.549
PF03144
37 -
(0)
?
- / - / -
0
115
Wbm0168
20
54%
0.496
PF00383
C5_S1
28 -
(6)
2
- /
5
/ -
0
116
Wbm0611
17
54%
0.441
PF13932
62 -
(47)
?
- / - / -
0
117
Wbm0431
20
53%
0.630
PF04545
26 -
(0)
?
- / - / -
0
118
Wbm0061
20
53%
0.544
PF03144
C1_S1
26 -
(0)
4
- / - /
4
2
119
Wbm0699
29
53%
0.482
PF00438
C3_S1
9 -
(5)
6
- / - /
5
0
120
Wbm0384
2
53%
0.444
PF01433
1 -
(0)
?
- / - / -
0
121
Wbm0607
0
53%
0.461
PF02996
2 -
(0)
?
- / - / -
0
122
Wbm0567
21
53%
0.484
PF00578
C1_S1
9 -
(0)
4
- / - /
1
0
123
Wbm0469
20
53%
0.589
PF07521
C1_S1
29 -
(0)
4
5
/
1
/
2
2
124
Wbm0236
25
53%
0.558
PF00834
C1_S1
12 -
(8)
5
- / - /
4
2
125
Wbm0313
9
53%
0.518
PF03449
3 -
(0)
?
- / - / -
0
126
Wbm0501
1
53%
0.592
PF01084
0 -
(0)
?
- / - / -
0
127
Wbm0080
13
53%
0.435
PF01668
C5_S1
7 -
(0)
?
- / - /
1
0
128
Wbm0630
26
52%
0.529
PF02789
C3_S1
13 -
(1)
7
- / - /
5
1
129
Wbm0650
20
52%
0.576
PF00687
0 -
(0)
?
- / - / -
0
130
Wbm0522
0
52%
0.314
PF03836
0 -
(0)
?
- / - / -
0
131
Wbm0335
20
52%
0.521
PF07650
4 -
(0)
0
- / - / -
0
132
Wbm0209
23
52%
0.551
PF01326
C4_S1
8 -
(3)
4
- / - /
4
2
133
Wbm0308
20
52%
0.549
PF02790
3 -
(0)
?
- / - / -
0
134
Wbm0159
9
52%
0.515
PF06071
C5_S1
3 -
(0)
1
- /
2
/ -
1
135
Wbm0802
5
52%
0.469
PF03966
1 -
(0)
?
- / - / -
0
136
Wbm0540
20
52%
0.492
PF00694
C3_S1
30 -
(11)
9
- / - /
5
4
137
Wbm0242
7
52%
0.368
PF01058
C4_S1
32 -
(0)
1
- / - /
1
0
138
Wbm0229
13
52%
0.465
PF01245
2 -
(0)
?
- / - / -
0
139
Wbm0573
19
52%
0.440
PF00380
7 -
(7)
?
- / - / -
0
140
Wbm0298
41
52%
0.543
PF00044
C3_S1
34 -
(26)
4
2
/
22
/ -
2
141
Wbm0531
18
51%
0.598
PF00886
2 -
(0)
?
- / - / -
0
142
Wbm0701
15
51%
0.546
PF00829
0 -
(0)
?
- / - / -
0
143
Wbm0252
20
51%
0.471
PF05496
C2_S1
23 -
(0)
7
4
/
5
/
6
4
144
Wbm0334
15
51%
0.555
PF00252
0 -
(0)
?
- / - / -
0
145
Wbm0191
9
51%
0.456
PF01176
1 -
(0)
?
- / - / -
0
146
Wbm0561
47
51%
0.538
PF02852
C3_S1
58 -
(52)
2
34
/ - / -
1
147
Wbm0543
17
51%
0.564
PF00929
C3_S1
44 -
(36)
6
- / - /
5
2
148
Wbm0704
20
51%
0.509
PF02637
0 -
(0)
?
- / - / -
0
149
Wbm0365
12
51%
0.531
PF00730
C2_S1
48 -
(0)
2
- /
2
/
2
0
150
Wbm0602
52
51%
0.508
PF00091
C3_S1
56 -
(0)
10
- /
15
/
27
5
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