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]
150
Wbm0120
17
44%
0.454
PF01926
C2_S1
29 -
(0)
1
- /
1
/ -
1
151
Wbm0441
20
51%
0.515
PF00696
C1_S1
43 -
(26)
4
- /
1
/
3
1
152
Wbm0402
21
44%
0.534
PF00698
C1_S1
19 -
(12)
8
- / - /
4
1
153
Wbm0508
13
51%
0.424
PF08245
C1_S1
55 -
(39)
1
- / - /
1
1
154
Wbm0416
17
33%
0.536
PF01687
C5_S1
29 -
(8)
1
- / - /
2
1
155
Wbm0507
36
54%
0.619
PF00111
C6_S1
84 -
(84)
2
- / - /
32
1
156
Wbm0276
18
47%
0.603
PF08299
C2_S1
17 -
(0)
2
- /
8
/ -
1
157
Wbm0462
20
37%
0.630
PF01207
C1_S1
55 -
(40)
2
1
/
3
/ -
1
158
Wbm0620
20
34%
0.474
PF03099
C2_S1
32 -
(9)
4
- /
1
/
2
1
159
Wbm0628
22
58%
0.459
PF13361
C6_S1
33 -
(0)
2
2
/
1
/
3
1
160
Wbm0184
14
43%
0.483
PF00990
C6_S1
36 -
(0)
2
- / - /
2
1
161
Wbm0519
21
70%
0.601
PF00549
C4_S1
21 -
(13)
2
- /
9
/ -
1
162
Wbm0412
21
40%
0.534
PF03129
C2_S1
21 -
(8)
2
- /
1
/
5
1
163
Wbm0443
20
56%
0.562
PF02540
C2_S1
8 -
(7)
1
- / - /
2
1
164
Wbm0158
19
45%
0.615
PF03320
C5_S1
10 -
(6)
2
- / - /
2
1
165
Wbm0559
33
40%
0.538
PF02852
C2_S1
51 -
(46)
2
20
/ - / -
1
166
Wbm0789
20
48%
0.388
PF01405
C4_S1
9 -
(0)
1
- / - /
1
1
167
Wbm0556
20
37%
0.464
PF02951
C3_S1
26 -
(20)
1
- /
2
/ -
1
168
Wbm0078
5
43%
0.639
PF01648
C5_S1
24 -
(12)
2
- / - /
3
1
169
Wbm0303
12
49%
0.542
PF04055
C2_S1
35 -
(10)
5
- / - /
5
1
170
Wbm0723
21
67%
0.643
PF10431
C5_S1
9 -
(0)
2
- /
4
/
1
1
171
Wbm0160
20
35%
0.459
PF01743
C5_S1
20 -
(16)
1
- / - /
1
1
172
Wbm0159
9
52%
0.515
PF06071
C5_S1
3 -
(0)
1
- /
2
/ -
1
173
Wbm0446
19
44%
0.487
PF01979
C2_S1
10 -
(3)
1
- / - /
1
1
174
Wbm0630
26
52%
0.529
PF02789
C3_S1
13 -
(1)
7
- / - /
5
1
175
Wbm0561
47
51%
0.538
PF02852
C3_S1
58 -
(52)
2
34
/ - / -
1
176
Wbm0072
20
45%
0.539
PF02441
C3_S1
25 -
(25)
2
- /
8
/ -
1
177
Wbm0155
19
38%
0.431
PF03054
C2_S1
12 -
(10)
2
- /
1
/
2
1
178
Wbm0117
6
50%
0.458
PF01357
4 -
(0)
?
- / - / -
0
179
Wbm0036
0
41%
0.537
PF05115
0 -
(0)
?
- / - / -
0
180
Wbm0316
9
25%
0.483
PF01870
2 -
(0)
?
- / - / -
0
181
Wbm0372
13
45%
0.687
PF08459
7 -
(0)
?
- / - / -
0
182
Wbm0014
20
31%
0.482
PF08402
6 -
(0)
?
- / - / -
0
183
Wbm0170
4
35%
0.415
PF03840
0 -
(0)
?
- / - / -
0
184
Wbm0721
2
38%
0.482
PF02844
12 -
(9)
?
- / - / -
0
185
Wbm0476
0
38%
0.059
PF14785
0 -
(0)
?
- / - / -
0
186
Wbm0457
3
41%
0.402
PF00656
0 -
(0)
?
- / - / -
0
187
Wbm0757
13
38%
0.672
PF01521
0 -
(0)
?
- / - / -
0
188
Wbm0591
4
31%
0.558
PF12918
2 -
(0)
?
- / - / -
0
189
Wbm0490
1
35%
0.304
PF01027
0 -
(0)
?
- / - / -
0
190
Wbm0323
15
36%
0.344
PF00828
6 -
(0)
?
- / - / -
0
191
Wbm0166
0
42%
0.050
PF01642
2 -
(0)
?
- / - / -
0
192
Wbm0164
0
42%
0.635
PF08912
2 -
(0)
?
- / - / -
0
193
Wbm0161
0
38%
0.361
PF08113
4 -
(0)
?
- / - / -
0
194
Wbm0554
10
37%
0.426
PF00515
32 -
(0)
?
- / - / -
0
195
Wbm0261
0
38%
0.221
PF02942
0 -
(0)
?
- / - / -
0
196
Wbm0391
0
30%
-0.118
PF00026
17 -
(0)
?
- / - / -
0
197
Wbm0165
0
44%
0.869
PF02996
4 -
(0)
?
- / - / -
0
198
Wbm0285
18
41%
0.455
PF05175
15 -
(0)
2
- / - / -
0
199
Wbm0478
0
35%
0.105
PF00186
4 -
(0)
?
- / - / -
0
200
Wbm0419
20
26%
0.502
PF05193
14 -
(0)
?
- / - / -
0
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