Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I70_201604 (Apr 2016)
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Data.csv
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3D Models
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Full name of ligand selected in the comparative docking column:
General color information :
Quality: [
Good
|
Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
Query Sequence
Filter:
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
REA - [nb=76] --> RETINOIC ACID
EST - [nb=34] --> ESTRADIOL
DHT - [nb=26] --> DIHYDROTESTOSTERONE
BM6 - [nb=15] --> .....OXOLAN-2-YL]-BENZOIC ACID
DEX - [nb=14] --> DEXAMETHASONE
OHT - [nb=14] --> 4-HYDROXYTAMOXIFEN
STR - [nb=14] --> PROGESTERONE
444 - [nb=13] --> .....PHENYL}BENZENESULFONAMIDE
4HY - [nb=13] --> .....IIODO-PHENYL]-ACETIC ACID
LG2 - [nb=12] --> .....YRIDINE-3-CARBOXYLIC ACID
F15 - [nb=12] --> PENTADECANOIC ACID
TXF - [nb=10] --> .....-PHENYLPENT-1-ENYL)PHENOL
TTB - [nb=9] --> .....)PROP-1-ENYL]BENZOIC ACID
T3 - [nb=9] --> 3,5,3'TRIIODOTHYRONINE
1CA - [nb=9] --> DESOXYCORTICOSTERONE
965 - [nb=9] --> .....ROPOXY)PHENYL]ACETIC ACID
TES - [nb=8] --> TESTOSTERONE
DES - [nb=8] --> DIETHYLSTILBESTROL
198 - [nb=8] --> R-BICALUTAMIDE
2OH - [nb=7] --> .....-PROPANE-2,2-DIYLDIPHENOL
EPH - [nb=7] --> .....-PHOSPHATIDYLETHANOLAMINE
MLO - [nb=7] --> .....N-1-YL)BIPHENYL-2,2'-DIOL
44B - [nb=7] --> .....)AMINO]PHENYL}PROPAN-2-OL
21P - [nb=6] --> .....IOXOLAN-2-YL]BENZOIC ACID
R18 - [nb=6] --> .....LESTRA-4,9,11-TRIEN-3-ONE
1NY - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
I0G - [nb=6] --> .....CYCLOPENTA[C]CHROMEN-8-OL
961 - [nb=6] --> .....ACETYLAMINO]-BENZOIC ACID
EQN - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
KN1 - [nb=6] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
K08 - [nb=6] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
JYH - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
K09 - [nb=6] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
3TN - [nb=6] --> .....-2-YL)PHENYL]ACRYLIC ACID
JYI - [nb=6] --> .....2-YL)ETHENYL]BENZOIC ACID
9RA - [nb=6] --> .....2-YL)ETHENYL]BENZOIC ACID
486 - [nb=6] --> .....PENTA[A]PHENANTHREN-3-ONE
564 - [nb=6] --> .....HTALENE-2-CARBOXYLIC ACID
RHN - [nb=6] --> .....HRACENE-2-CARBOXYLIC ACID
LUF - [nb=6] --> .....-5-HYDROXYFURAN-2(5H)-ONE
EQO - [nb=6] --> .....2-YL]ETHENYL}BENZOIC ACID
KN3 - [nb=5] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
NDR - [nb=5] --> NORETHINDRONE
TBY - [nb=5] --> TRIBUTYLSTANNANYL
61X - [nb=5] --> .....TRIFLUOROMETHYL)QUINOLINE
GEN - [nb=5] --> GENISTEIN
ET1 - [nb=5] --> .....INDOL-3-YL}PROPANOIC ACID
PTG - [nb=5] --> .....,12,14-TETRAEN-1-OIC ACID
VCA - [nb=5] --> VACCENIC ACID
LRG - [nb=5] --> .....Y)-3-PHENYLPROPANOIC ACID
T9T - [nb=5] --> TRIPHENYLSTANNANYL
MOF - [nb=5] --> MOMETASONE FUROATE
272 - [nb=4] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
0KT - [nb=4] --> .....PHENYL)BENZENESULFONAMIDE
AJA - [nb=4] --> .....HROMENE-9-CARBOXYLIC ACID
O90 - [nb=4] --> .....LFANYL]PHENYL}ACETIC ACID
4P3 - [nb=4] --> .....xy)biphenyl-3-carboxamide
KN0 - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
072 - [nb=4] --> .....PTYL-4-OXO-5-THIAZOLIDINE
PFA - [nb=4] --> .....ETHYL-PHENYL]-6-AZAURACIL
13M - [nb=4] --> .....THYL}BENZYL)BUTANOIC ACID
OCR - [nb=4] --> .....5,8,11,13-TETRAENOIC ACID
4KM - [nb=4] --> .....(trifluoromethyl)benzoate
0D1 - [nb=4] --> .....OETHENE-1,1-DIYL)DIPHENOL
AS0 - [nb=4] --> .....-11-YL]BENZALDEHYDE OXIME
AEJ - [nb=4] --> .....ETRAHYDROISOQUINOLIN-6-OL
LX2 - [nb=4] --> .....1H-INDOL-1-YL]ACETIC ACID
VDX - [nb=4] --> .....LENE-CYCLOHEXANE-1,3-DIOL
4Q3 - [nb=4] --> .....-fluoro-N-methylbenzamide
OR8 - [nb=4] --> .....1H-PYRAZOLE-4-SULFONAMIDE
CO1 - [nb=4] --> .....OPENTA[A]PHENANTHREN-3-OL
244 - [nb=4] --> .....ZOFURAN-7-YL]ACETONITRILE
196 - [nb=4] --> .....-HYDROXY-1-NAPHTHONITRILE
ETC - [nb=4] --> .....TRAHYDROCHRYSENE-2,8-DIOL
IMN - [nb=4] --> INDOMETHACIN
LO2 - [nb=4] --> .....3,3-HEXAFLUOROPROPAN-2-OL
DC8 - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
471 - [nb=4] --> .....PHENYL}PROPYL)PROPANAMIDE
O40 - [nb=4] --> .....BAMOYL]AMINO}BENZOIC ACID
2VZ - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
FHM - [nb=3] --> .....METHYL)PHENYL]PROPANAMIDE
652 - [nb=3] --> .....IMIDAZOL-4-YL}PROPAN-2-OL
08S - [nb=3] --> .....ZOTHIOPHENE-2-CARBOXAMIDE
GW5 - [nb=3] --> .....-ENYL]PHENYL}ACRYLIC ACID
RAL - [nb=3] --> RALOXIFENE
3SV - [nb=3] --> .....3,7-DIMETHYLOCTANOIC ACID
3T2 - [nb=3] --> .....]OCTA-2,4,6-TRIENOIC ACID
3RB - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
1FA - [nb=3] --> .....NDEN-4-YL)OXY]ACETIC ACID
BGV - [nb=3] --> .....[6,5-B]FURAN-4-YL ACETATE
LX8 - [nb=3] --> .....-2-YL]PROPAN-2-YL ACETATE
2E3 - [nb=3] --> .....)PHENYL]PROP-2-ENOIC ACID
BMS - [nb=3] --> .....ONYL)-AMINO]-BENZOIC ACID
2W0 - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
2VR - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
JZN - [nb=3] --> .....L]CARBONYL}-D-PROLINAMIDE
29V - [nb=3] --> .....ENE]OCTA-3,6-DIENOIC ACID
754 - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
STL - [nb=3] --> RESVERATROL
GW9 - [nb=3] --> .....5-NITRO-N-PHENYLBENZAMIDE
PLB - [nb=3] --> .....IDIN-2-YLOXY)BENZOIC ACID
156 - [nb=3] --> .....L)-PROPENYL]-BENZOIC ACID
2QO - [nb=3] --> .....YL-3-YL]PROP-2-ENOIC ACID
AIT - [nb=3] --> .....DRO-1,4-BENZOXATHIIN-6-OL
S44 - [nb=3] --> .....THYL}BENZYL)BUTANOIC ACID
CHC - [nb=3] --> .....HYL-CHENODEOXYCHOLIC ACID
184 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
SNL - [nb=3] --> SPIRONOLACTONE
P26 - [nb=3] --> .....IOXOLAN-2-YL]BENZOIC ACID
R4M - [nb=3] --> .....ENE]OCTA-2,6-DIENOIC ACID
HXA - [nb=3] --> .....0,13,16,19-HEXAENOIC ACID
2VP - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
1O8 - [nb=3] --> .....LOCTA-2,4,6-TRIENOIC ACID
TEJ - [nb=3] --> .....,10,25(27)-TETRAEN-26-ONE
L79 - [nb=3] --> .....AN-2-YL]-2-PROPENOIC ACID
394 - [nb=3] --> .....ACETYLAMINO]-BENZOIC ACID
XDH - [nb=3] --> .....YLBIS(2,6-DICHLOROPHENOL)
4TN - [nb=3] --> .....YDROXYPHENYL]ACRYLIC ACID
MEI - [nb=3] --> .....YLDODECA-2,4-DIENOIC ACID
5TN - [nb=3] --> .....-2-YL)PHENYL]ACRYLIC ACID
254 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
IL2 - [nb=3] --> .....H)-YLIDENE]PENTANOIC ACID
WLM - [nb=3] --> .....YL]PHENYL]ETHYL]BENZAMIDE
5FB - [nb=3] --> .....FLUOROMETHYL)BENZONITRILE
OLA - [nb=3] --> OLEIC ACID
Y1N - [nb=3] --> .....YL]PHENOXY]PROPANOIC ACID
Z00 - [nb=3] --> .....L-2-YL)BENZENESULFONAMIDE
27M - [nb=2] --> .....DIHYDROXYPHENYL)METHANONE
CA9 - [nb=2] --> .....L-CYCLOHEX-4-ENE-1,3-DIOL
4OH - [nb=2] --> .....-TRIENE-3,15,16,17-TETROL
470 - [nb=2] --> .....YDROPENTALEN-3A(1H)-AMINE
SF1 - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
31D - [nb=2] --> .....ENZOYL}AMINO)BENZOIC ACID
3SN - [nb=2] --> .....lobutylbenzenesulfonamide
GW6 - [nb=2] --> .....17-YL FURAN-2-CARBOXYLATE
9HO - [nb=2] --> .....TADECA-10,12-DIENOIC ACID
T44 - [nb=2] --> .....,5'-TETRAIODO-L-THYRONINE
1GT - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
5HE - [nb=2] --> .....,11,14,17-PENTAENOIC ACID
LLB - [nb=2] --> .....L)ETHOXY]PHENYL}METHANONE
689 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
27L - [nb=2] --> .....IMETHYLPENTAN-2-YL)PHENOL
331 - [nb=2] --> .....OXY)-2-METHYLBUTYRIC ACID
EI1 - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
1GU - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
555 - [nb=2] --> .....L)-1-NAPHTHALDEHYDE OXIME
DY6 - [nb=2] --> .....RBONYL}AMINO)BENZOIC ACID
WY1 - [nb=2] --> .....2-YL}SULFANYL)ACETIC ACID
243 - [nb=2] --> .....CTADECA-9,11-DIENOIC ACID
3QQ - [nb=2] --> .....no}pyridine-3-sulfonamide
041 - [nb=2] --> .....VINYL-1,3-BENZOXAZOL-5-OL
W14 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-7-OL
NOG - [nb=2] --> .....ETA-HYDROXYGON-4-EN-3-ONE
F22 - [nb=2] --> .....0,13,16,19-HEXAENOIC ACID
39K - [nb=2] --> .....-PHENYLMETHANESULFONAMIDE
NZA - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
66B - [nb=2] --> .....,15,18,21-PENTAENOIC ACID
L41 - [nb=2] --> .....OPOXY]PHENOXY}ACETIC ACID
Q97 - [nb=2] --> .....T-1-ENE-1,2-DIYL]DIPHENOL
4NA - [nb=2] --> .....HYDROXYPHENYL)-2-NAPHTHOL
27E - [nb=2] --> CHLORDECONE
AS4 - [nb=2] --> ALDOSTERONE
ESL - [nb=2] --> ESTRIOL
OMM - [nb=2] --> .....INO)-3-FLUOROBENZOIC ACID
ODE - [nb=2] --> .....T-5-ENE-2,3-DICARBOXYLATE
DKA - [nb=2] --> DECANOIC ACID
IH5 - [nb=2] --> .....HENOXY]PHENYL}ACETIC ACID
K55 - [nb=2] --> .....THYL]BENZYL}BUTANOIC ACID
HC3 - [nb=2] --> 25-HYDROXYCHOLESTEROL
27G - [nb=2] --> .....BENZENE-1,2-DICARBOXYLATE
MYI - [nb=2] --> .....1H-INDOL-3-YL)ACETIC ACID
1GJ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
AZ2 - [nb=2] --> .....OXY)PHENYL]PROPANOIC ACID
IVM - [nb=2] --> .....-L-arabino-hexopyranoside
G24 - [nb=2] --> .....METHYLPHENOXY]ACETIC ACID
459 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
4KQ - [nb=2] --> .....enyl]phenyl]ethanoic acid
OBH - [nb=2] --> ......1]hept-5-ene-2-sulfonate
HZ3 - [nb=2] --> .....5-DIENE-2,3-DICARBOXYLATE
1GS - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
CTM - [nb=2] --> .....L)-2-ETHOXYPROPANOIC ACID
NBH - [nb=2] --> .....SULFONYL)PHENYL]ACETAMIDE
CLR - [nb=2] --> CHOLESTEROL
43M - [nb=2] --> 4-CHLORO-3-METHYLPHENOL
T3O - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
YFE - [nb=2] --> AMORFRUTIN 1
A48 - [nb=2] --> .....IFLUOROETHYL)AMINO]PHENOL
OLF - [nb=2] --> .....INO)-3-METHYLBENZOIC ACID
XPT - [nb=2] --> .....AMBDA~4~-SULFANYL]PROPANE
OKH - [nb=2] --> .....IDAZOLE-6-CARBOXYLIC ACID
OOK - [nb=2] --> .....-3,5-DIFLUOROBENZOIC ACID
1GR - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
YJD - [nb=2] --> .....YBENZIMIDAZOL-1-YL)PHENOL
538 - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
27H - [nb=2] --> FERUTININE
30X - [nb=2] --> .....LUOROETHYL)-L-ALANINAMIDE
P6L - [nb=2] --> .....PYL (8E)-OCTADEC-8-ENOATE
FSV - [nb=2] --> .....)ETHENYL]BENZENE-1,3-DIOL
PIQ - [nb=2] --> .....NYLIMIDAZO[4,5-B]PYRIDINE
XX9 - [nb=2] --> .....-(DIMETHYLAMINO)BENZAMIDE
OOF - [nb=2] --> .....ACETYL}AMINO)BENZOIC ACID
797 - [nb=2] --> .....L)-BENZO[D]ISOOXAZOL-6-OL
ZTW - [nb=2] --> RALOXIFENE CORE
YFD - [nb=2] --> AMORFRUTIN 2
3EA - [nb=2] --> .....]INDOL-1-YL}ETHANOIC ACID
T98 - [nb=2] --> .....1H-PYRROLE-2-CARBONITRILE
J2Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
240 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
PIZ - [nb=2] --> .....-1,2-DIYL DIHEXADECANOATE
ORB - [nb=2] --> .....YLISOXAZOLE-4-SULFONAMIDE
JJ3 - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-8-OL
0L8 - [nb=2] --> .....DROXYMETHYL)BIPHENYL-4-OL
NRO - [nb=2] --> .....L)FURAN-2-YL]BENZOIC ACID
WV7 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
3K2 - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
GKK - [nb=2] --> .....BENZYL]AMINO}BENZONITRILE
C08 - [nb=2] --> .....L-KAPPAN}PENTANOATO)BORON
85Z - [nb=2] --> .....]PHENYL]PROP-2-ENOIC ACID
Z27 - [nb=2] --> .....METHYL)BENZENESULFONAMIDE
697 - [nb=2] --> .....BENZOFURAN-7-CARBONITRILE
RO7 - [nb=2] --> .....OPHEN-7-YL}PROPANOIC ACID
DGX - [nb=2] --> DIGOXIN
MCZ - [nb=2] --> .....NA-5,7,10-TRIENE-1,3-DIOL
4D8 - [nb=2] --> .....4-DIENE-4-CARBOXYLIC ACID
OCX - [nb=2] --> .....5,9,11,14-TETRAENOIC ACID
27K - [nb=2] --> BUTYL 4-HYDROXYBENZOATE
MMB - [nb=2] --> .....ROPOXYIMINO)BUTANOIC ACID
LLC - [nb=2] --> .....YLETHOXY)PHENYL]METHANONE
1HP - [nb=2] --> .....4,5-B]PYRIDIN-6-YL)PHENOL
3SX - [nb=2] --> .....-phenylmethanesulfonamide
FMV - [nb=2] --> .....NA-5,7,10-TRIENE-1,3-DIOL
ESE - [nb=2] --> .....YLOCTAHYDRO-1H-INDEN-1-OL
WST - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-9-OL
SP3 - [nb=2] --> .....METHYL)BENZENESULFONAMIDE
KN2 - [nb=2] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
HIG - [nb=2] --> .....3H-IMIDAZO[4,5-B]PYRIDINE
1BA - [nb=2] --> .....OPYLBENZYL)BENZOHYDRAZIDE
4HD - [nb=2] --> .....0,13,16,19-HEXAENOIC ACID
JJA - [nb=2] --> .....YL]AMINO}METHYL)BENZAMIDE
36M - [nb=2] --> propyl 4-hydroxybenzoate
SU4 - [nb=2] --> .....PROPYL]BENZENESULFONAMIDE
EZT - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
338 - [nb=2] --> .....-YL)-1,3-BENZOOXAZOL-6-OL
W23 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
IOK - [nb=2] --> .....L-1H-INDOL-3-YL)ACETAMIDE
27J - [nb=2] --> ALPHA-ZEARALANOL
15Q - [nb=2] --> .....METHYL]BIPHENYL-4,4'-DIOL
789 - [nb=2] --> .....OXYPHENYL)-1H-INDEN-1-ONE
VD4 - [nb=2] --> .....OESTRA-5,7-DIENE-1,3-DIOL
SRO - [nb=2] --> SEROTONIN
1OH - [nb=2] --> .....THYL-1-PHENYLETHYL)PHENOL
3EQ - [nb=2] --> .....ALEN-1-YL)OXY]ACETIC ACID
401 - [nb=2] --> .....THOXYBENZYL}BUTANOIC ACID
866 - [nb=2] --> .....1H-PYRAZOLE-4-CARBOXAMIDE
5BC - [nb=2] --> .....1H-INDOL-1-YL)ACETIC ACID
5OX - [nb=2] --> .....,14,17,20-PENTAENOIC ACID
EED - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
MUF - [nb=2] --> .....5-DIENE-3-CARBOXYLIC ACID
OMK - [nb=2] --> .....2-METHYLPHENYL)ETHANAMIDE
3JX - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
3AS - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-8-OL
27N - [nb=2] --> .....OETHANE-1,1-DIYL)DIPHENOL
EES - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
OKI - [nb=2] --> .....,2-DICYCLOHEXYLETHANAMIDE
DRQ - [nb=2] --> .....,3,5(10)-TRIENE-3,17-DIOL
HFT - [nb=2] --> HYDROXYFLUTAMIDE
UNT - [nb=2] --> .....IAZOL-2-YL)PROPANOIC ACID
G58 - [nb=2] --> .....H-IMIDAZOLE-4-SULFONAMIDE
CHD - [nb=2] --> CHOLIC ACID
1GM - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
1GV - [nb=2] --> .....5-DIYLBIS(3-METHYLPHENOL)
SF2 - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
LNA - [nb=2] --> .....CTADECA-9,12-DIENOIC ACID
DRH - [nb=2] --> .....XY)-2-METHYLBUTANOIC ACID
2MV - [nb=1] --> .....TA-5,7,10-TRIENE-1,3-DIOL
AXY - [nb=1] --> .....YL-4-YLOXY)PROPANOIC ACID
PK0 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
4R8 - [nb=1] --> .....,13,16,19-PENTAENOIC ACID
43V - [nb=1] --> .....sulfonyl)phenyl]acetamide
P88 - [nb=1] --> .....INOLINE-3-CARBOXYLIC ACID
FEX - [nb=1] --> .....HYL}AMINO]PHENYL}ACRYLATE
K10 - [nb=1] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
2PQ - [nb=1] --> .....Y]-2-METHYLPROPANOIC ACID
PEF - [nb=1] --> .....-PHOSPHATIDYLETHANOLAMINE
PK1 - [nb=1] --> .....-THIOXOIMIDAZOLIDIN-4-ONE
0CZ - [nb=1] --> .....PROPANE-2,2-DIYL)DIPHENOL
8NH - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
AIU - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
23R - [nb=1] --> .....LA-5,7,10-TRIENE-1,3-DIOL
CEK - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
EB1 - [nb=1] --> SEOCALCITOL
RRG - [nb=1] --> .....L-4-YL]OXY}PROPANOIC ACID
33Y - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
DS2 - [nb=1] --> .....METHYLPHENOXY}ACETIC ACID
2KB - [nb=1] --> .....en-2-yl]oxy}butanenitrile
P0E - [nb=1] --> PHOSPHATIDYL ETHANOL
RRH - [nb=1] --> .....L-4-YL]OXY}PROPANOIC ACID
A2K - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
IOG - [nb=1] --> .....)-1H-INDOL-3-YL]ACETAMIDE
0KS - [nb=1] --> .....-METHYLBENZENESULFONAMIDE
C01 - [nb=1] --> .....ISOXAZOL-6-YL)OXY]ACETATE
WFG - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
JAD - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
C33 - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
C3S - [nb=1] --> .....-EN-3-YL HYDROGEN SULFATE
CA4 - [nb=1] --> CYPROTERONE ACETATE
M0T - [nb=1] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
397 - [nb=1] --> .....XY-PHENYL)BENZOFURAN-5-OL
YSD - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
RO0 - [nb=1] --> .....-1-YL]METHYL}ISOQUINOLINE
YS5 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
TX5 - [nb=1] --> .....DENE)CYCLOHEXANE-1,3-DIOL
EEU - [nb=1] --> .....RIDINIUM TETRAACETIC ACID
6DS - [nb=1] --> .....YL)PHENOXY]PENTANOIC ACID
064 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
L92 - [nb=1] --> .....YRROL-1-YL)PROPANOIC ACID
DIF - [nb=1] --> .....)AMINO]BENZENEACETIC ACID
6OB - [nb=1] --> .....CTADECA-8,12-DIENOIC ACID
DS5 - [nb=1] --> .....YL)PHENOXY]PENTANOIC ACID
B66 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
NEQ - [nb=1] --> N-ETHYLMALEIMIDE
VDB - [nb=1] --> .....RA-5,7,16-TRIENE-1,3-DIOL
BHM - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
LD1 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
TLS - [nb=1] --> .....IPHENYL-2-CARBOXYLIC ACID
L4G - [nb=1] --> .....Y)PHENOXY]NAPHTHALEN-2-OL
24L - [nb=1] --> .....THALEN-2-YL}BUTANOIC ACID
MON - [nb=1] --> .....N-2-YL]AMINO}ETHYL)PHENOL
NSI - [nb=1] --> .....]-1H-INDOLE-2-CARBOXAMIDE
3B6 - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
WFF - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
708 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
1GQ - [nb=1] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
XCX - [nb=1] --> .....Y)-2-METHYLPROPANOIC ACID
59G - [nb=1] --> .....IOPHENE-3-CARBOXYLIC ACID
Z12 - [nb=1] --> .....PHENYL]BENZENESULFONAMIDE
KRC - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
034 - [nb=1] --> .....-INDOLE-2-CARBOXYLIC ACID
MVD - [nb=1] --> .....A,25-DIHYDROXY-VITAMIN D3
YFB - [nb=1] --> AMORFRUTIN B
36J - [nb=1] --> .....zoxacyclotetradecin-1-one
DS6 - [nb=1] --> .....HYLPHENOXY]PENTANOIC ACID
FCM - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
LU2 - [nb=1] --> .....IHYDROXY-4H-CHROMEN-4-ONE
JN3 - [nb=1] --> CHENODEOXYCHOLIC ACID
XDI - [nb=1] --> .....IYLBIS(2,6-DIBROMOPHENOL)
JZS - [nb=1] --> .....1H-INDAZOL-1-YL)BENZAMIDE
056 - [nb=1] --> .....LFANYLMETHYL]BENZOIC ACID
4P1 - [nb=1] --> .....n-6-yl]-N-methylbenzamide
J3Z - [nb=1] --> .....RA-1,3,5(10)-TRIEN-17-ONE
HFN - [nb=1] --> .....-1,4-benzoxazin-3(4H)-one
088 - [nb=1] --> .....-1-YL)METHYL]BENZOIC ACID
AIH - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
RB1 - [nb=1] --> .....IMIDIN-3-YL)METHYL]PHENOL
ZK5 - [nb=1] --> 9ALPHA-FLUOROCORTISOL
37G - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
B68 - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
E3O - [nb=1] --> .....(10)-TRIENE-3,16,17-TRIOL
0W3 - [nb=1] --> .....-DIOXODOCOS-16-ENOIC ACID
14R - [nb=1] --> .....IDAZO[4,5-C]PYRIDIN-4-ONE
KNA - [nb=1] --> NONANOIC ACID
DRY - [nb=1] --> .....NDOL-5-YL)OXY]ACETIC ACID
3AJ - [nb=1] --> .....)CYCLOPROPANECARBONITRILE
EIM - [nb=1] --> .....DENE-CYCLOHEXANE-1,3-DIOL
ORC - [nb=1] --> .....YLISOXAZOLE-4-SULFONAMIDE
ET0 - [nb=1] --> .....INDOL-3-YL)PROPANOIC ACID
PLC - [nb=1] --> .....ECYL PHOSPHATIDYL CHOLINE
P3A - [nb=1] --> .....LGLYCEROL-PHOSPHOGLYCEROL
DAY - [nb=1] --> .....L-1-YL]-2-HYDROXYETHANONE
COV - [nb=1] --> .....TA-5,7,10-TRIENE-1,3-DIOL
WOW - [nb=1] --> .....N-3-YL]AMINO}BENZONITRILE
635 - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
458 - [nb=1] --> ......3.1]NON-7-EN-2-YL]PHENOL
735 - [nb=1] --> .....YL}PHENOXY)PROPANOIC ACID
IU5 - [nb=1] --> ISO-URSODEOXYCHOLIC ACID
ENM - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
2S0 - [nb=1] --> .....HENANTHREN-17-YL] ACETATE
VDZ - [nb=1] --> .....LENE-CYCLOHEXANE-1,3-DIOL
6OC - [nb=1] --> .....CTADECA-9,12-DIENOIC ACID
B67 - [nb=1] --> .....FLUOROPHENOXY)PROPANAMIDE
C3O - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
EPA - [nb=1] --> .....,17-EICOSAPENTAENOIC ACID
OEF - [nb=1] --> .....OPYL-PHENOXY)BENZOIC ACID
GRR - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
10R - [nb=1] --> .....ICARBA-CLOSO-DODECABORANE
ZXG - [nb=1] --> .....L]PHENYL HYDROGEN SULFATE
HC9 - [nb=1] --> .....)-CHOLEST-5-ENE-3,22-DIOL
3OZ - [nb=1] --> .....METHYLPHENOXY]ACETIC ACID
3E0 - [nb=1] --> .....3-thiazol-2-yl]morpholine
AOE - [nb=1] --> .....-YL]-N-METHYLUNDECANAMIDE
0VQ - [nb=1] --> .....METHYL)OCTA-3,5-DIEN-2-OL
VHW - [nb=1] --> .....LATE (NON-PREFERRED NAME)
M7S - [nb=1] --> .....HYL}PHENYL)PROPANOIC ACID
DRJ - [nb=1] --> .....XY)-2-METHYLBUTANOIC ACID
ED9 - [nb=1] --> .....,7,10-TRIENE-1,3,25-TRIOL
YS3 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
VDA - [nb=1] --> .....RA-5,7,16-TRIENE-1,3-DIOL
DRD - [nb=1] --> .....Y]-2-METHYLPROPANOIC ACID
B5R - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
0CO - [nb=1] --> .....LA-5,7,10-TRIENE-1,3-DIOL
VD5 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
YRG - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
CM4 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
DS3 - [nb=1] --> .....HYLPHENOXY}PENTANOIC ACID
29M - [nb=1] --> .....L-7-YL]METHANESULFONAMIDE
LGB - [nb=1] --> .....INO}-3-METHYLBENZONITRILE
LG7 - [nb=1] --> .....(3H)-YL]-1-NAPHTHONITRILE
LSJ - [nb=1] --> .....PHENYL}METHANESULFONAMIDE
CM3 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
GW0 - [nb=1] --> .....METHYLPHENOXY}ACETIC ACID
O1C - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
ZAA - [nb=1] --> .....-TRIAZOL-4-YL)ACETIC ACID
369 - [nb=1] --> .....)-7-METHYLNAPHTHALEN-2-OL
OCC - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
TEY - [nb=1] --> .....THYL]CYCLOHEXANE-1,3-DIOL
LGD - [nb=1] --> .....METHYL)QUINOLIN-2(1H)-ONE
DS4 - [nb=1] --> .....BIPHENYL-4-YL]ACETIC ACID
3EV - [nb=1] --> .....,7,10-TRIENE-1,3,25-TRIOL
82X - [nb=1] --> .....HIOPHEN-2-YL)BENZOIC ACID
RLJ - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
17L - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
PIK - [nb=1] --> .....-1,2-DIYL DIHEXADECANOATE
17H - [nb=1] --> .....PREGNA-4,9,11-TRIEN-3-ONE
643 - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
GW4 - [nb=1] --> .....Y]PHENYL}PROPYL]ACETAMIDE
HC2 - [nb=1] --> 20-HYDROXYCHOLESTEROL
J35 - [nb=1] --> .....HYL)BENZYL]PENTANOIC ACID
ZBD - [nb=1] --> .....-2-yl]-N-methylbutanamide
EHA - [nb=1] --> .....1H-INDOL-1-YL)ACETIC ACID
C0R - [nb=1] --> CORTICOSTERONE
21L - [nb=1] --> .....APHTHALEN-2-YL}PROPANOATE
M7R - [nb=1] --> .....HYL}PHENYL)PROPANOIC ACID
E4D - [nb=1] --> .....ENZO[B][1,4]OXATHIIN-6-OL
DKD - [nb=1] --> .....)-3-PHENYL-PROPANOIC ACID
ZNE - [nb=1] --> .....IDENECYCLOHEXANE-1,3-DIOL
MSZ - [nb=1] --> .....HYL)PHENOXY]ETHANOIC ACID
ZZH - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
CTI - [nb=1] --> .....,6-c]phenanthridin-12-ium
C3D - [nb=1] --> .....TETRAHYDRONAPHTHALEN-2-OL
241 - [nb=1] --> .....YL}PHENOXY)PROPANOIC ACID
TFY - [nb=1] --> .....THYL]CYCLOHEXANE-1,3-DIOL
EK8 - [nb=1] --> .....POXYPHENYL]PROPANOIC ACID
NN7 - [nb=1] --> .....METHYL-BENZENESULFONAMIDE
RLL - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
D30 - [nb=1] --> .....ALEN-1-YL)OXY]ACETIC ACID
LD2 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
FBR - [nb=1] --> .....TRAHYDRO-3H-FLUOREN-3-ONE
AIJ - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
MC9 - [nb=1] --> CALCIPOTRIOL
SP0 - [nb=1] --> .....L-5-YL]BENZENESULFONAMIDE
89P - [nb=1] --> .....INOLINE-2-CARBOXYLIC ACID
KH1 - [nb=1] --> .....LENE-CYCLOHEXANE-1,3-DIOL
ZYD - [nb=1] --> .....IDENECYCLOHEXANE-1,3-DIOL
HID - [nb=1] --> .....1H-INDOL-3-YL)ACETIC ACID
O62 - [nb=1] --> .....THALENE-1-CARBOXYLIC ACID
10S - [nb=1] --> .....ICARBA-CLOSO-DODECABORANE
208 - [nb=1] --> .....L)-2-ETHOXYPROPANOIC ACID
EK1 - [nb=1] --> .....HYL)PHENYL]PROPANOIC ACID
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
H_NR1C3_PPARg
165
100%
0.617
PF00105
C3_S1
201 -
(0)
20
55
/
62
/
47
101
2
H_NR3A1_ESRa
178
100%
0.709
PF00105
C6_S1
206 -
(0)
20
33
/
119
/
29
80
3
H_NR1I1_VDR
54
100%
0.780
PF00105
C3_S1
67 -
(0)
20
52
/
2
/ -
43
4
H_NR2B3_RXRg
79
100%
0.530
PF00105
C3_S1
92 -
(0)
20
21
/
38
/
11
31
5
H_NR2B2_RXRb
79
100%
0.574
PF00105
C3_S1
93 -
(0)
20
21
/
38
/
10
31
6
H_NR2B1_RXRa
76
100%
0.659
PF00105
C3_S1
93 -
(0)
20
21
/
38
/
10
31
7
H_NR3A2_ESRb
63
100%
0.629
PF00105
C5_S1
90 -
(0)
20
4
/
52
/
10
29
8
H_NR3C4_ANDR
76
100%
0.760
PF00105
C2_S1
110 -
(0)
20
4
/
65
/
9
24
9
H_NR1H4_FXR
40
100%
0.717
PF00105
C3_S1
62 -
(0)
20
33
/
5
/
3
20
10
H_NR1C2_PPARb
34
100%
0.816
PF00105
C3_S1
53 -
(0)
20
12
/
20
/
1
17
11
H_NR3C3_PRGR
32
100%
0.821
PF00105
C2_S1
54 -
(0)
20
7
/
27
/ -
16
12
H_NR1B1_RARa
32
100%
0.576
PF00105
C5_S1
50 -
(0)
20
22
/
8
/
2
15
13
H_NR1F3_RORg
30
100%
0.620
PF00105
C3_S1
58 -
(0)
20
8
/
25
/
2
15
14
H_NR1B3_RARg
32
100%
0.868
PF00105
C4_S1
50 -
(0)
20
22
/
9
/
1
15
15
H_NR1H2_LXRb
38
100%
0.674
PF00105
C4_S1
54 -
(0)
20
19
/
8
/
4
15
16
H_NR1B2_RARb
32
100%
0.526
PF00105
C2_S1
50 -
(0)
20
22
/
8
/
2
15
17
H_NR1C1_PPARa
19
100%
0.822
PF00105
C3_S1
38 -
(0)
20
13
/
6
/
5
14
18
H_NR1H3_LXRa
38
100%
0.564
PF00105
C2_S1
63 -
(0)
20
21
/
10
/
6
13
19
H_NR3C1_GCR
39
99%
0.612
PF00105
C4_S1
45 -
(0)
20
13
/
20
/
1
12
20
H_NR3C2_MCR
30
99%
0.590
PF00105
C5_S1
34 -
(0)
16
2
/
25
/
2
10
21
H_NR5A2_LRH1
16
100%
0.675
PF00105
C1_S1
30 -
(0)
13
12
/
3
/ -
9
22
H_NR1A1_THRa
16
88%
0.453
PF00105
C1_S1
39 -
(0)
10
- /
16
/ -
7
23
H_NR3B3_ERRg
25
100%
0.633
PF00105
C5_S1
43 -
(0)
13
2
/
18
/
2
7
24
H_NR3B2_ERRb
26
79%
0.623
PF00105
C5_S1
32 -
(0)
13
- /
15
/
6
7
25
H_NR1A2_THRb
15
100%
0.525
PF00105
C1_S1
39 -
(0)
9
5
/
10
/ -
6
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