Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I90_201604 (Apr 2016)
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Data.csv
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3D Models
Tab legend :
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=42] --> RETINOIC ACID
EST - [nb=33] --> ESTRADIOL
DHT - [nb=26] --> DIHYDROTESTOSTERONE
DEX - [nb=14] --> DEXAMETHASONE
STR - [nb=14] --> PROGESTERONE
444 - [nb=13] --> .....PHENYL}BENZENESULFONAMIDE
OHT - [nb=10] --> 4-HYDROXYTAMOXIFEN
1CA - [nb=9] --> DESOXYCORTICOSTERONE
965 - [nb=9] --> .....ROPOXY)PHENYL]ACETIC ACID
TTB - [nb=9] --> .....)PROP-1-ENYL]BENZOIC ACID
198 - [nb=8] --> R-BICALUTAMIDE
TES - [nb=8] --> TESTOSTERONE
44B - [nb=7] --> .....)AMINO]PHENYL}PROPAN-2-OL
4HY - [nb=7] --> .....IIODO-PHENYL]-ACETIC ACID
EQO - [nb=6] --> .....2-YL]ETHENYL}BENZOIC ACID
JYI - [nb=6] --> .....2-YL)ETHENYL]BENZOIC ACID
I0G - [nb=6] --> .....CYCLOPENTA[C]CHROMEN-8-OL
R18 - [nb=6] --> .....LESTRA-4,9,11-TRIEN-3-ONE
KN1 - [nb=6] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
564 - [nb=6] --> .....HTALENE-2-CARBOXYLIC ACID
LUF - [nb=6] --> .....-5-HYDROXYFURAN-2(5H)-ONE
1NY - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
JYH - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
486 - [nb=6] --> .....PENTA[A]PHENANTHREN-3-ONE
961 - [nb=6] --> .....ACETYLAMINO]-BENZOIC ACID
EQN - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
NDR - [nb=5] --> NORETHINDRONE
PTG - [nb=5] --> .....,12,14-TETRAEN-1-OIC ACID
ET1 - [nb=5] --> .....INDOL-3-YL}PROPANOIC ACID
MOF - [nb=5] --> MOMETASONE FUROATE
61X - [nb=5] --> .....TRIFLUOROMETHYL)QUINOLINE
T3 - [nb=5] --> 3,5,3'TRIIODOTHYRONINE
LRG - [nb=5] --> .....Y)-3-PHENYLPROPANOIC ACID
EPH - [nb=5] --> .....-PHOSPHATIDYLETHANOLAMINE
TXF - [nb=5] --> .....-PHENYLPENT-1-ENYL)PHENOL
KN3 - [nb=5] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
BM6 - [nb=5] --> .....OXOLAN-2-YL]-BENZOIC ACID
VCA - [nb=5] --> VACCENIC ACID
2OH - [nb=4] --> .....-PROPANE-2,2-DIYLDIPHENOL
4KM - [nb=4] --> .....(trifluoromethyl)benzoate
OR8 - [nb=4] --> .....1H-PYRAZOLE-4-SULFONAMIDE
471 - [nb=4] --> .....PHENYL}PROPYL)PROPANAMIDE
4Q3 - [nb=4] --> .....-fluoro-N-methylbenzamide
O90 - [nb=4] --> .....LFANYL]PHENYL}ACETIC ACID
CO1 - [nb=4] --> .....OPENTA[A]PHENANTHREN-3-OL
F15 - [nb=4] --> PENTADECANOIC ACID
KN0 - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
LO2 - [nb=4] --> .....3,3-HEXAFLUOROPROPAN-2-OL
244 - [nb=4] --> .....ZOFURAN-7-YL]ACETONITRILE
272 - [nb=4] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
LG2 - [nb=4] --> .....YRIDINE-3-CARBOXYLIC ACID
4P3 - [nb=4] --> .....xy)biphenyl-3-carboxamide
DC8 - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
LX2 - [nb=4] --> .....1H-INDOL-1-YL]ACETIC ACID
GEN - [nb=4] --> GENISTEIN
AJA - [nb=4] --> .....HROMENE-9-CARBOXYLIC ACID
O40 - [nb=4] --> .....BAMOYL]AMINO}BENZOIC ACID
13M - [nb=4] --> .....THYL}BENZYL)BUTANOIC ACID
AEJ - [nb=4] --> .....ETRAHYDROISOQUINOLIN-6-OL
DES - [nb=4] --> DIETHYLSTILBESTROL
AS0 - [nb=4] --> .....-11-YL]BENZALDEHYDE OXIME
IMN - [nb=4] --> INDOMETHACIN
OCR - [nb=4] --> .....5,8,11,13-TETRAENOIC ACID
0D1 - [nb=4] --> .....OETHENE-1,1-DIYL)DIPHENOL
0KT - [nb=4] --> .....PHENYL)BENZENESULFONAMIDE
196 - [nb=4] --> .....-HYDROXY-1-NAPHTHONITRILE
ETC - [nb=4] --> .....TRAHYDROCHRYSENE-2,8-DIOL
072 - [nb=4] --> .....PTYL-4-OXO-5-THIAZOLIDINE
PLB - [nb=3] --> .....IDIN-2-YLOXY)BENZOIC ACID
TBY - [nb=3] --> TRIBUTYLSTANNANYL
XDH - [nb=3] --> .....YLBIS(2,6-DICHLOROPHENOL)
WLM - [nb=3] --> .....YL]PHENYL]ETHYL]BENZAMIDE
MLO - [nb=3] --> .....N-1-YL)BIPHENYL-2,2'-DIOL
GW5 - [nb=3] --> .....-ENYL]PHENYL}ACRYLIC ACID
GW9 - [nb=3] --> .....5-NITRO-N-PHENYLBENZAMIDE
S44 - [nb=3] --> .....THYL}BENZYL)BUTANOIC ACID
254 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
IL2 - [nb=3] --> .....H)-YLIDENE]PENTANOIC ACID
08S - [nb=3] --> .....ZOTHIOPHENE-2-CARBOXAMIDE
SNL - [nb=3] --> SPIRONOLACTONE
BMS - [nb=3] --> .....ONYL)-AMINO]-BENZOIC ACID
156 - [nb=3] --> .....L)-PROPENYL]-BENZOIC ACID
Z00 - [nb=3] --> .....L-2-YL)BENZENESULFONAMIDE
T9T - [nb=3] --> TRIPHENYLSTANNANYL
JZN - [nb=3] --> .....L]CARBONYL}-D-PROLINAMIDE
184 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
AIT - [nb=3] --> .....DRO-1,4-BENZOXATHIIN-6-OL
394 - [nb=3] --> .....ACETYLAMINO]-BENZOIC ACID
Y1N - [nb=3] --> .....YL]PHENOXY]PROPANOIC ACID
CHC - [nb=3] --> .....HYL-CHENODEOXYCHOLIC ACID
STL - [nb=3] --> RESVERATROL
FHM - [nb=3] --> .....METHYL)PHENYL]PROPANAMIDE
1FA - [nb=3] --> .....NDEN-4-YL)OXY]ACETIC ACID
652 - [nb=3] --> .....IMIDAZOL-4-YL}PROPAN-2-OL
RAL - [nb=3] --> RALOXIFENE
5OX - [nb=2] --> .....,14,17,20-PENTAENOIC ACID
27H - [nb=2] --> FERUTININE
LNA - [nb=2] --> .....CTADECA-9,12-DIENOIC ACID
27G - [nb=2] --> .....BENZENE-1,2-DICARBOXYLATE
ESE - [nb=2] --> .....YLOCTAHYDRO-1H-INDEN-1-OL
EZT - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
LLC - [nb=2] --> .....YLETHOXY)PHENYL]METHANONE
39K - [nb=2] --> .....-PHENYLMETHANESULFONAMIDE
0L8 - [nb=2] --> .....DROXYMETHYL)BIPHENYL-4-OL
697 - [nb=2] --> .....BENZOFURAN-7-CARBONITRILE
WST - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-9-OL
401 - [nb=2] --> .....THOXYBENZYL}BUTANOIC ACID
27J - [nb=2] --> ALPHA-ZEARALANOL
459 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
J2Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
L41 - [nb=2] --> .....OPOXY]PHENOXY}ACETIC ACID
PIZ - [nb=2] --> .....-1,2-DIYL DIHEXADECANOATE
27N - [nb=2] --> .....OETHANE-1,1-DIYL)DIPHENOL
ESL - [nb=2] --> ESTRIOL
041 - [nb=2] --> .....VINYL-1,3-BENZOXAZOL-5-OL
G58 - [nb=2] --> .....H-IMIDAZOLE-4-SULFONAMIDE
MMB - [nb=2] --> .....ROPOXYIMINO)BUTANOIC ACID
SF1 - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
ODE - [nb=2] --> .....T-5-ENE-2,3-DICARBOXYLATE
YFD - [nb=2] --> AMORFRUTIN 2
21P - [nb=2] --> .....IOXOLAN-2-YL]BENZOIC ACID
5HE - [nb=2] --> .....,11,14,17-PENTAENOIC ACID
789 - [nb=2] --> .....OXYPHENYL)-1H-INDEN-1-ONE
MUF - [nb=2] --> .....5-DIENE-3-CARBOXYLIC ACID
27M - [nb=2] --> .....DIHYDROXYPHENYL)METHANONE
OCX - [nb=2] --> .....5,9,11,14-TETRAENOIC ACID
OKI - [nb=2] --> .....,2-DICYCLOHEXYLETHANAMIDE
OKH - [nb=2] --> .....IDAZOLE-6-CARBOXYLIC ACID
3JX - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
Q97 - [nb=2] --> .....T-1-ENE-1,2-DIYL]DIPHENOL
1GT - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
CLR - [nb=2] --> CHOLESTEROL
797 - [nb=2] --> .....L)-BENZO[D]ISOOXAZOL-6-OL
AZ2 - [nb=2] --> .....OXY)PHENYL]PROPANOIC ACID
4HD - [nb=2] --> .....0,13,16,19-HEXAENOIC ACID
Z27 - [nb=2] --> .....METHYL)BENZENESULFONAMIDE
9HO - [nb=2] --> .....TADECA-10,12-DIENOIC ACID
HZ3 - [nb=2] --> .....5-DIENE-2,3-DICARBOXYLATE
GKK - [nb=2] --> .....BENZYL]AMINO}BENZONITRILE
538 - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
GW6 - [nb=2] --> .....17-YL FURAN-2-CARBOXYLATE
HFT - [nb=2] --> HYDROXYFLUTAMIDE
36J - [nb=2] --> .....zoxacyclotetradecin-1-one
JJ3 - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-8-OL
RHN - [nb=2] --> .....HRACENE-2-CARBOXYLIC ACID
4OH - [nb=2] --> .....-TRIENE-3,15,16,17-TETROL
PFA - [nb=2] --> .....ETHYL-PHENYL]-6-AZAURACIL
AS4 - [nb=2] --> ALDOSTERONE
SP3 - [nb=2] --> .....METHYL)BENZENESULFONAMIDE
EI1 - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
K08 - [nb=2] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
YJD - [nb=2] --> .....YBENZIMIDAZOL-1-YL)PHENOL
1GJ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
DKA - [nb=2] --> DECANOIC ACID
EED - [nb=2] --> .....(10),2,4-TRIENE-3,17-DIOL
IOK - [nb=2] --> .....L-1H-INDOL-3-YL)ACETAMIDE
1GR - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
5FB - [nb=2] --> .....FLUOROMETHYL)BENZONITRILE
5BC - [nb=2] --> .....1H-INDOL-1-YL)ACETIC ACID
P6L - [nb=2] --> .....PYL (8E)-OCTADEC-8-ENOATE
1GS - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
3SN - [nb=2] --> .....lobutylbenzenesulfonamide
1GM - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
JJA - [nb=2] --> .....YL]AMINO}METHYL)BENZAMIDE
1GV - [nb=2] --> .....5-DIYLBIS(3-METHYLPHENOL)
30X - [nb=2] --> .....LUOROETHYL)-L-ALANINAMIDE
31D - [nb=2] --> .....ENZOYL}AMINO)BENZOIC ACID
DGX - [nb=2] --> DIGOXIN
85Z - [nb=2] --> .....]PHENYL]PROP-2-ENOIC ACID
3QQ - [nb=2] --> .....no}pyridine-3-sulfonamide
4KQ - [nb=2] --> .....enyl]phenyl]ethanoic acid
OOK - [nb=2] --> .....-3,5-DIFLUOROBENZOIC ACID
PIQ - [nb=2] --> .....NYLIMIDAZO[4,5-B]PYRIDINE
555 - [nb=2] --> .....L)-1-NAPHTHALDEHYDE OXIME
338 - [nb=2] --> .....-YL)-1,3-BENZOOXAZOL-6-OL
IVM - [nb=2] --> .....-L-arabino-hexopyranoside
NBH - [nb=2] --> .....SULFONYL)PHENYL]ACETAMIDE
470 - [nb=2] --> .....YDROPENTALEN-3A(1H)-AMINE
27L - [nb=2] --> .....IMETHYLPENTAN-2-YL)PHENOL
WY1 - [nb=2] --> .....2-YL}SULFANYL)ACETIC ACID
XPT - [nb=2] --> .....AMBDA~4~-SULFANYL]PROPANE
YFE - [nb=2] --> AMORFRUTIN 1
4D8 - [nb=2] --> .....4-DIENE-4-CARBOXYLIC ACID
FSV - [nb=2] --> .....)ETHENYL]BENZENE-1,3-DIOL
W23 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
OOF - [nb=2] --> .....ACETYL}AMINO)BENZOIC ACID
MYI - [nb=2] --> .....1H-INDOL-3-YL)ACETIC ACID
OMK - [nb=2] --> .....2-METHYLPHENYL)ETHANAMIDE
689 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
DY6 - [nb=2] --> .....RBONYL}AMINO)BENZOIC ACID
3AS - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-8-OL
1GU - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
C08 - [nb=2] --> .....L-KAPPAN}PENTANOATO)BORON
866 - [nb=2] --> .....1H-PYRAZOLE-4-CARBOXAMIDE
OBH - [nb=2] --> ......1]hept-5-ene-2-sulfonate
SF2 - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
240 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
XX9 - [nb=2] --> .....-(DIMETHYLAMINO)BENZAMIDE
HIG - [nb=2] --> .....3H-IMIDAZO[4,5-B]PYRIDINE
LLB - [nb=2] --> .....L)ETHOXY]PHENYL}METHANONE
15Q - [nb=2] --> .....METHYL]BIPHENYL-4,4'-DIOL
T98 - [nb=2] --> .....1H-PYRROLE-2-CARBONITRILE
SRO - [nb=2] --> SEROTONIN
3EQ - [nb=2] --> .....ALEN-1-YL)OXY]ACETIC ACID
3K2 - [nb=2] --> .....IPHENYL-2-CARBOXYLIC ACID
KN2 - [nb=2] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
9RA - [nb=2] --> .....2-YL)ETHENYL]BENZOIC ACID
DRH - [nb=2] --> .....XY)-2-METHYLBUTANOIC ACID
ZTW - [nb=2] --> RALOXIFENE CORE
66B - [nb=2] --> .....,15,18,21-PENTAENOIC ACID
1HP - [nb=2] --> .....4,5-B]PYRIDIN-6-YL)PHENOL
DRQ - [nb=2] --> .....,3,5(10)-TRIENE-3,17-DIOL
243 - [nb=2] --> .....CTADECA-9,11-DIENOIC ACID
27K - [nb=2] --> BUTYL 4-HYDROXYBENZOATE
WV7 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
T3O - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
K09 - [nb=2] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
3EA - [nb=2] --> .....]INDOL-1-YL}ETHANOIC ACID
4NA - [nb=2] --> .....HYDROXYPHENYL)-2-NAPHTHOL
F22 - [nb=2] --> .....0,13,16,19-HEXAENOIC ACID
3SX - [nb=2] --> .....-phenylmethanesulfonamide
RO7 - [nb=2] --> .....OPHEN-7-YL}PROPANOIC ACID
27E - [nb=2] --> CHLORDECONE
UNT - [nb=2] --> .....IAZOL-2-YL)PROPANOIC ACID
OMM - [nb=2] --> .....INO)-3-FLUOROBENZOIC ACID
W14 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-7-OL
HC3 - [nb=2] --> 25-HYDROXYCHOLESTEROL
NZA - [nb=2] --> .....-INDOLE-2-CARBOXYLIC ACID
331 - [nb=2] --> .....OXY)-2-METHYLBUTYRIC ACID
NOG - [nb=2] --> .....ETA-HYDROXYGON-4-EN-3-ONE
NRO - [nb=2] --> .....L)FURAN-2-YL]BENZOIC ACID
SU4 - [nb=2] --> .....PROPYL]BENZENESULFONAMIDE
OLF - [nb=2] --> .....INO)-3-METHYLBENZOIC ACID
A48 - [nb=2] --> .....IFLUOROETHYL)AMINO]PHENOL
3TN - [nb=2] --> .....-2-YL)PHENYL]ACRYLIC ACID
ORB - [nb=2] --> .....YLISOXAZOLE-4-SULFONAMIDE
CTM - [nb=2] --> .....L)-2-ETHOXYPROPANOIC ACID
36M - [nb=2] --> propyl 4-hydroxybenzoate
EES - [nb=2] --> .....XYPHENYL)-2H-INDAZOL-5-OL
K55 - [nb=2] --> .....THYL]BENZYL}BUTANOIC ACID
YRG - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
2VZ - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
8NH - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
ZZH - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
AXY - [nb=1] --> .....YL-4-YLOXY)PROPANOIC ACID
0CZ - [nb=1] --> .....PROPANE-2,2-DIYL)DIPHENOL
HXA - [nb=1] --> .....0,13,16,19-HEXAENOIC ACID
JAD - [nb=1] --> .....-YL]-3-METHYLBENZONITRILE
17L - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
K10 - [nb=1] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
MEI - [nb=1] --> .....YLDODECA-2,4-DIENOIC ACID
RRG - [nb=1] --> .....L-4-YL]OXY}PROPANOIC ACID
R4M - [nb=1] --> .....ENE]OCTA-2,6-DIENOIC ACID
XDI - [nb=1] --> .....IYLBIS(2,6-DIBROMOPHENOL)
0KS - [nb=1] --> .....-METHYLBENZENESULFONAMIDE
FEX - [nb=1] --> .....HYL}AMINO]PHENYL}ACRYLATE
CM3 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
458 - [nb=1] --> ......3.1]NON-7-EN-2-YL]PHENOL
C3S - [nb=1] --> .....-EN-3-YL HYDROGEN SULFATE
4P1 - [nb=1] --> .....n-6-yl]-N-methylbenzamide
1O8 - [nb=1] --> .....LOCTA-2,4,6-TRIENOIC ACID
RB1 - [nb=1] --> .....IMIDIN-3-YL)METHYL]PHENOL
2S0 - [nb=1] --> .....HENANTHREN-17-YL] ACETATE
AIH - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
Z12 - [nb=1] --> .....PHENYL]BENZENESULFONAMIDE
708 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
P88 - [nb=1] --> .....INOLINE-3-CARBOXYLIC ACID
M7S - [nb=1] --> .....HYL}PHENYL)PROPANOIC ACID
J35 - [nb=1] --> .....HYL)BENZYL]PENTANOIC ACID
T44 - [nb=1] --> .....,5'-TETRAIODO-L-THYRONINE
6OC - [nb=1] --> .....CTADECA-9,12-DIENOIC ACID
MON - [nb=1] --> .....N-2-YL]AMINO}ETHYL)PHENOL
MSZ - [nb=1] --> .....HYL)PHENOXY]ETHANOIC ACID
M7R - [nb=1] --> .....HYL}PHENYL)PROPANOIC ACID
LGD - [nb=1] --> .....METHYL)QUINOLIN-2(1H)-ONE
21L - [nb=1] --> .....APHTHALEN-2-YL}PROPANOATE
82X - [nb=1] --> .....HIOPHEN-2-YL)BENZOIC ACID
ENM - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
L4G - [nb=1] --> .....Y)PHENOXY]NAPHTHALEN-2-OL
M0T - [nb=1] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
HID - [nb=1] --> .....1H-INDOL-3-YL)ACETIC ACID
B68 - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
HFN - [nb=1] --> .....-1,4-benzoxazin-3(4H)-one
P3A - [nb=1] --> .....LGLYCEROL-PHOSPHOGLYCEROL
C0R - [nb=1] --> CORTICOSTERONE
P26 - [nb=1] --> .....IOXOLAN-2-YL]BENZOIC ACID
GW4 - [nb=1] --> .....Y]PHENYL}PROPYL]ACETAMIDE
A2K - [nb=1] --> .....PENTA[A]PHENANTHREN-3-ONE
PK1 - [nb=1] --> .....-THIOXOIMIDAZOLIDIN-4-ONE
3SV - [nb=1] --> .....3,7-DIMETHYLOCTANOIC ACID
2VP - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
KNA - [nb=1] --> NONANOIC ACID
RLL - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
2PQ - [nb=1] --> .....Y]-2-METHYLPROPANOIC ACID
DIF - [nb=1] --> .....)AMINO]BENZENEACETIC ACID
ET0 - [nb=1] --> .....INDOL-3-YL)PROPANOIC ACID
6OB - [nb=1] --> .....CTADECA-8,12-DIENOIC ACID
5TN - [nb=1] --> .....-2-YL)PHENYL]ACRYLIC ACID
735 - [nb=1] --> .....YL}PHENOXY)PROPANOIC ACID
BHM - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
CM4 - [nb=1] --> .....THOXY)PHENYL]CHROMAN-6-OL
034 - [nb=1] --> .....-INDOLE-2-CARBOXYLIC ACID
B66 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
59G - [nb=1] --> .....IOPHENE-3-CARBOXYLIC ACID
LD1 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
LD2 - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
17H - [nb=1] --> .....PREGNA-4,9,11-TRIEN-3-ONE
208 - [nb=1] --> .....L)-2-ETHOXYPROPANOIC ACID
G24 - [nb=1] --> .....METHYLPHENOXY]ACETIC ACID
JN3 - [nb=1] --> CHENODEOXYCHOLIC ACID
C01 - [nb=1] --> .....ISOXAZOL-6-YL)OXY]ACETATE
088 - [nb=1] --> .....-1-YL)METHYL]BENZOIC ACID
PEF - [nb=1] --> .....-PHOSPHATIDYLETHANOLAMINE
EK8 - [nb=1] --> .....POXYPHENYL]PROPANOIC ACID
PK0 - [nb=1] --> .....FLUOROMETHYL)BENZONITRILE
3RB - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
AIJ - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
1GQ - [nb=1] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
YFB - [nb=1] --> AMORFRUTIN B
XCX - [nb=1] --> .....Y)-2-METHYLPROPANOIC ACID
2VR - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
369 - [nb=1] --> .....)-7-METHYLNAPHTHALEN-2-OL
3OZ - [nb=1] --> .....METHYLPHENOXY]ACETIC ACID
D30 - [nb=1] --> .....ALEN-1-YL)OXY]ACETIC ACID
397 - [nb=1] --> .....XY-PHENYL)BENZOFURAN-5-OL
33Y - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
B5R - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
EK1 - [nb=1] --> .....HYL)PHENYL]PROPANOIC ACID
635 - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
CTI - [nb=1] --> .....,6-c]phenanthridin-12-ium
DRY - [nb=1] --> .....NDOL-5-YL)OXY]ACETIC ACID
EPA - [nb=1] --> .....,17-EICOSAPENTAENOIC ACID
O62 - [nb=1] --> .....THALENE-1-CARBOXYLIC ACID
E4D - [nb=1] --> .....ENZO[B][1,4]OXATHIIN-6-OL
NSI - [nb=1] --> .....]-1H-INDOLE-2-CARBOXAMIDE
1BA - [nb=1] --> .....OPYLBENZYL)BENZOHYDRAZIDE
24L - [nb=1] --> .....THALEN-2-YL}BUTANOIC ACID
NN7 - [nb=1] --> .....METHYL-BENZENESULFONAMIDE
DRD - [nb=1] --> .....Y]-2-METHYLPROPANOIC ACID
HC9 - [nb=1] --> .....)-CHOLEST-5-ENE-3,22-DIOL
TLS - [nb=1] --> .....IPHENYL-2-CARBOXYLIC ACID
29M - [nb=1] --> .....L-7-YL]METHANESULFONAMIDE
WFG - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
064 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
3T2 - [nb=1] --> .....]OCTA-2,4,6-TRIENOIC ACID
CEK - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
RRH - [nb=1] --> .....L-4-YL]OXY}PROPANOIC ACID
ZK5 - [nb=1] --> 9ALPHA-FLUOROCORTISOL
FCM - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
HC2 - [nb=1] --> 20-HYDROXYCHOLESTEROL
CHD - [nb=1] --> CHOLIC ACID
L79 - [nb=1] --> .....AN-2-YL]-2-PROPENOIC ACID
14R - [nb=1] --> .....IDAZO[4,5-C]PYRIDIN-4-ONE
CA4 - [nb=1] --> CYPROTERONE ACETATE
89P - [nb=1] --> .....INOLINE-2-CARBOXYLIC ACID
0W3 - [nb=1] --> .....-DIOXODOCOS-16-ENOIC ACID
C3D - [nb=1] --> .....TETRAHYDRONAPHTHALEN-2-OL
AIU - [nb=1] --> .....DRO-1,4-BENZOXATHIIN-6-OL
1OH - [nb=1] --> .....THYL-1-PHENYLETHYL)PHENOL
PIK - [nb=1] --> .....-1,2-DIYL DIHEXADECANOATE
P0E - [nb=1] --> PHOSPHATIDYL ETHANOL
FBR - [nb=1] --> .....TRAHYDRO-3H-FLUOREN-3-ONE
EHA - [nb=1] --> .....1H-INDOL-1-YL)ACETIC ACID
PLC - [nb=1] --> .....ECYL PHOSPHATIDYL CHOLINE
DAY - [nb=1] --> .....L-1-YL]-2-HYDROXYETHANONE
JZS - [nb=1] --> .....1H-INDAZOL-1-YL)BENZAMIDE
ZBD - [nb=1] --> .....-2-yl]-N-methylbutanamide
WOW - [nb=1] --> .....N-3-YL]AMINO}BENZONITRILE
IOG - [nb=1] --> .....)-1H-INDOL-3-YL]ACETAMIDE
LU2 - [nb=1] --> .....IHYDROXY-4H-CHROMEN-4-ONE
LSJ - [nb=1] --> .....PHENYL}METHANESULFONAMIDE
ORC - [nb=1] --> .....YLISOXAZOLE-4-SULFONAMIDE
29V - [nb=1] --> .....ENE]OCTA-3,6-DIENOIC ACID
056 - [nb=1] --> .....LFANYLMETHYL]BENZOIC ACID
IU5 - [nb=1] --> ISO-URSODEOXYCHOLIC ACID
4TN - [nb=1] --> .....YDROXYPHENYL]ACRYLIC ACID
OLA - [nb=1] --> OLEIC ACID
3B6 - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
ZAA - [nb=1] --> .....-TRIAZOL-4-YL)ACETIC ACID
GW0 - [nb=1] --> .....METHYLPHENOXY}ACETIC ACID
RO0 - [nb=1] --> .....-1-YL]METHYL}ISOQUINOLINE
GRR - [nb=1] --> .....Y)-3-PHENYLPROPANOIC ACID
AOE - [nb=1] --> .....-YL]-N-METHYLUNDECANAMIDE
LX8 - [nb=1] --> .....-2-YL]PROPAN-2-YL ACETATE
3E0 - [nb=1] --> .....3-thiazol-2-yl]morpholine
2E3 - [nb=1] --> .....)PHENYL]PROP-2-ENOIC ACID
643 - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
KRC - [nb=1] --> .....O[B,D]FURAN-4-CARBOXAMIDE
LG7 - [nb=1] --> .....(3H)-YL]-1-NAPHTHONITRILE
EEU - [nb=1] --> .....RIDINIUM TETRAACETIC ACID
2QO - [nb=1] --> .....YL-3-YL]PROP-2-ENOIC ACID
754 - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
DKD - [nb=1] --> .....)-3-PHENYL-PROPANOIC ACID
B67 - [nb=1] --> .....FLUOROPHENOXY)PROPANAMIDE
BGV - [nb=1] --> .....[6,5-B]FURAN-4-YL ACETATE
WFF - [nb=1] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
4R8 - [nb=1] --> .....,13,16,19-PENTAENOIC ACID
43M - [nb=1] --> 4-CHLORO-3-METHYLPHENOL
SP0 - [nb=1] --> .....L-5-YL]BENZENESULFONAMIDE
L92 - [nb=1] --> .....YRROL-1-YL)PROPANOIC ACID
ZXG - [nb=1] --> .....L]PHENYL HYDROGEN SULFATE
IH5 - [nb=1] --> .....HENOXY]PHENYL}ACETIC ACID
2W0 - [nb=1] --> .....)OCTA-2,4,6-TRIENOIC ACID
LGB - [nb=1] --> .....INO}-3-METHYLBENZONITRILE
43V - [nb=1] --> .....sulfonyl)phenyl]acetamide
37G - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
E3O - [nb=1] --> .....(10)-TRIENE-3,16,17-TRIOL
RLJ - [nb=1] --> .....DROXY-2-METHYLPROPANAMIDE
J3Z - [nb=1] --> .....RA-1,3,5(10)-TRIEN-17-ONE
DRJ - [nb=1] --> .....XY)-2-METHYLBUTANOIC ACID
241 - [nb=1] --> .....YL}PHENOXY)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%
0.607
PF00105
C2_S1
199 -
(0)
20
54
/
63
/
47
103
2
H_NR3A1_ERa
177
100%
0.827
PF00105
C6_S1
204 -
(0)
20
33
/
120
/
28
80
3
H_NR2B1_RXRa
68
100%
0.659
PF00105
C3_S1
93 -
(0)
20
21
/
38
/
10
31
4
H_NR3A2_ERb
62
100%
0.678
PF00105
C6_S1
86 -
(0)
20
4
/
51
/
10
29
5
H_NR3C4_ANDR
76
100%
0.760
PF00105
C2_S1
110 -
(0)
20
4
/
65
/
9
24
6
H_NR1H4_FXR
40
100%
0.717
PF00105
C3_S1
62 -
(0)
20
33
/
5
/
3
20
7
H_NR1C2_PPARb
33
100%
0.816
PF00105
C3_S1
53 -
(0)
20
12
/
20
/
1
17
8
H_NR3C3_PRGR
31
100%
0.821
PF00105
C2_S1
54 -
(0)
20
7
/
27
/ -
16
9
H_NR1F3_RORg
30
100%
0.620
PF00105
C3_S1
58 -
(0)
20
8
/
25
/
2
15
10
H_NR1B1_RARa
8
100%
0.576
PF00105
C5_S1
50 -
(0)
20
22
/
8
/
2
15
11
H_NR1H2_LXRb
24
100%
0.674
PF00105
C4_S1
54 -
(0)
20
19
/
8
/
4
15
12
H_NR1B2_RARb
14
100%
0.526
PF00105
C2_S1
50 -
(0)
20
22
/
8
/
2
15
13
H_NR1B3_RARg
10
100%
0.868
PF00105
C4_S1
50 -
(0)
20
22
/
9
/
1
15
14
H_NR1C1_PPARa
19
100%
0.822
PF00105
C3_S1
38 -
(0)
20
13
/
6
/
5
14
15
H_NR1H3_LXRa
15
100%
0.564
PF00105
C2_S1
63 -
(0)
20
21
/
10
/
6
13
16
H_NR3C1_GCR
33
99%
0.612
PF00105
C4_S1
45 -
(0)
20
13
/
20
/
1
12
17
H_NR3C2_MCR
26
99%
0.590
PF00105
C5_S1
34 -
(0)
16
2
/
25
/
2
10
18
H_NR5A2_LRH1
13
100%
0.675
PF00105
C1_S1
30 -
(0)
13
12
/
3
/ -
9
19
H_NR3B3_ERRg
25
100%
0.633
PF00105
C5_S1
43 -
(0)
13
2
/
18
/
2
7
20
H_NR1A2_THRb
15
100%
0.525
PF00105
C1_S1
39 -
(0)
9
5
/
10
/ -
6
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