Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_HUMAN_I30_201601 (Jan 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
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Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
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
(All)
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
DHT - [nb=99] --> DIHYDROTESTOSTERONE
REA - [nb=78] --> RETINOIC ACID
EST - [nb=48] --> ESTRADIOL
STR - [nb=47] --> PROGESTERONE
DEX - [nb=38] --> DEXAMETHASONE
198 - [nb=32] --> R-BICALUTAMIDE
1CA - [nb=32] --> DESOXYCORTICOSTERONE
TES - [nb=26] --> TESTOSTERONE
R18 - [nb=24] --> .....LESTRA-4,9,11-TRIEN-3-ONE
EPH - [nb=23] --> .....-PHOSPHATIDYLETHANOLAMINE
486 - [nb=23] --> .....PENTA[A]PHENANTHREN-3-ONE
MOF - [nb=19] --> MOMETASONE FUROATE
444 - [nb=18] --> .....PHENYL}BENZENESULFONAMIDE
OHT - [nb=17] --> 4-HYDROXYTAMOXIFEN
AS0 - [nb=16] --> .....-11-YL]BENZALDEHYDE OXIME
OR8 - [nb=16] --> .....1H-PYRAZOLE-4-SULFONAMIDE
VCA - [nb=15] --> VACCENIC ACID
TXF - [nb=15] --> .....-PHENYLPENT-1-ENYL)PHENOL
BM6 - [nb=15] --> .....OXOLAN-2-YL]-BENZOIC ACID
4HY - [nb=15] --> .....IIODO-PHENYL]-ACETIC ACID
PTG - [nb=14] --> .....,12,14-TETRAEN-1-OIC ACID
LRG - [nb=14] --> .....Y)-3-PHENYLPROPANOIC ACID
ET1 - [nb=13] --> .....INDOL-3-YL}PROPANOIC ACID
T3 - [nb=13] --> 3,5,3'TRIIODOTHYRONINE
DES - [nb=12] --> DIETHYLSTILBESTROL
JZN - [nb=12] --> .....L]CARBONYL}-D-PROLINAMIDE
F15 - [nb=12] --> PENTADECANOIC ACID
4Q3 - [nb=12] --> .....-fluoro-N-methylbenzamide
SNL - [nb=12] --> SPIRONOLACTONE
FHM - [nb=12] --> .....METHYL)PHENYL]PROPANAMIDE
LG2 - [nb=12] --> .....YRIDINE-3-CARBOXYLIC ACID
KN1 - [nb=12] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
4P3 - [nb=12] --> .....xy)biphenyl-3-carboxamide
IMN - [nb=11] --> INDOMETHACIN
NDR - [nb=11] --> NORETHINDRONE
I0G - [nb=10] --> .....CYCLOPENTA[C]CHROMEN-8-OL
KN3 - [nb=10] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
IL2 - [nb=9] --> .....H)-YLIDENE]PENTANOIC ACID
2OH - [nb=9] --> .....-PROPANE-2,2-DIYLDIPHENOL
4D8 - [nb=9] --> .....4-DIENE-4-CARBOXYLIC ACID
TBY - [nb=9] --> TRIBUTYLSTANNANYL
T9T - [nb=9] --> TRIPHENYLSTANNANYL
965 - [nb=9] --> .....ROPOXY)PHENYL]ACETIC ACID
MLO - [nb=9] --> .....N-1-YL)BIPHENYL-2,2'-DIOL
TTB - [nb=9] --> .....)PROP-1-ENYL]BENZOIC ACID
AEJ - [nb=8] --> .....ETRAHYDROISOQUINOLIN-6-OL
MYI - [nb=8] --> .....1H-INDOL-3-YL)ACETIC ACID
AJA - [nb=8] --> .....HROMENE-9-CARBOXYLIC ACID
ORB - [nb=8] --> .....YLISOXAZOLE-4-SULFONAMIDE
KN0 - [nb=8] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
471 - [nb=8] --> .....PHENYL}PROPYL)PROPANAMIDE
T98 - [nb=8] --> .....1H-PYRROLE-2-CARBONITRILE
30X - [nb=8] --> .....LUOROETHYL)-L-ALANINAMIDE
AS4 - [nb=8] --> ALDOSTERONE
HFT - [nb=8] --> HYDROXYFLUTAMIDE
GEN - [nb=8] --> GENISTEIN
GKK - [nb=8] --> .....BENZYL]AMINO}BENZONITRILE
OCR - [nb=8] --> .....5,8,11,13-TETRAENOIC ACID
866 - [nb=7] --> .....1H-PYRAZOLE-4-CARBOXAMIDE
44B - [nb=7] --> .....)AMINO]PHENYL}PROPAN-2-OL
NOG - [nb=7] --> .....ETA-HYDROXYGON-4-EN-3-ONE
Y1N - [nb=7] --> .....YL]PHENOXY]PROPANOIC ACID
L41 - [nb=6] --> .....OPOXY]PHENOXY}ACETIC ACID
K55 - [nb=6] --> .....THYL]BENZYL}BUTANOIC ACID
K09 - [nb=6] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
Z00 - [nb=6] --> .....L-2-YL)BENZENESULFONAMIDE
21P - [nb=6] --> .....IOXOLAN-2-YL]BENZOIC ACID
F22 - [nb=6] --> .....0,13,16,19-HEXAENOIC ACID
EQN - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
961 - [nb=6] --> .....ACETYLAMINO]-BENZOIC ACID
331 - [nb=6] --> .....OXY)-2-METHYLBUTYRIC ACID
39K - [nb=6] --> .....-PHENYLMETHANESULFONAMIDE
CLR - [nb=6] --> CHOLESTEROL
3SN - [nb=6] --> .....lobutylbenzenesulfonamide
244 - [nb=6] --> .....ZOFURAN-7-YL]ACETONITRILE
WY1 - [nb=6] --> .....2-YL}SULFANYL)ACETIC ACID
1FA - [nb=6] --> .....NDEN-4-YL)OXY]ACETIC ACID
3EA - [nb=6] --> .....]INDOL-1-YL}ETHANOIC ACID
401 - [nb=6] --> .....THOXYBENZYL}BUTANOIC ACID
3TN - [nb=6] --> .....-2-YL)PHENYL]ACRYLIC ACID
S44 - [nb=6] --> .....THYL}BENZYL)BUTANOIC ACID
OCX - [nb=6] --> .....5,9,11,14-TETRAENOIC ACID
RAL - [nb=6] --> RALOXIFENE
LUF - [nb=6] --> .....-5-HYDROXYFURAN-2(5H)-ONE
K08 - [nb=6] --> .....-3-YL}ETHYL)-1H-TETRAZOLE
JYH - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
NBH - [nb=6] --> .....SULFONYL)PHENYL]ACETAMIDE
DY6 - [nb=6] --> .....RBONYL}AMINO)BENZOIC ACID
3QQ - [nb=6] --> .....no}pyridine-3-sulfonamide
538 - [nb=6] --> .....IPHENYL-2-CARBOXYLIC ACID
RHN - [nb=6] --> .....HRACENE-2-CARBOXYLIC ACID
LNA - [nb=6] --> .....CTADECA-9,12-DIENOIC ACID
HC3 - [nb=6] --> 25-HYDROXYCHOLESTEROL
5FB - [nb=6] --> .....FLUOROMETHYL)BENZONITRILE
YFD - [nb=6] --> AMORFRUTIN 2
3JX - [nb=6] --> .....IPHENYL-2-CARBOXYLIC ACID
SF2 - [nb=6] --> .....-INDOLE-2-CARBOXYLIC ACID
1NY - [nb=6] --> .....RBONYL]AMINO}BENZOIC ACID
EQO - [nb=6] --> .....2-YL]ETHENYL}BENZOIC ACID
243 - [nb=6] --> .....CTADECA-9,11-DIENOIC ACID
DRH - [nb=6] --> .....XY)-2-METHYLBUTANOIC ACID
9RA - [nb=6] --> .....2-YL)ETHENYL]BENZOIC ACID
JYI - [nb=6] --> .....2-YL)ETHENYL]BENZOIC ACID
3SX - [nb=6] --> .....-phenylmethanesulfonamide
GW9 - [nb=6] --> .....5-NITRO-N-PHENYLBENZAMIDE
3EQ - [nb=6] --> .....ALEN-1-YL)OXY]ACETIC ACID
GW6 - [nb=6] --> .....17-YL FURAN-2-CARBOXYLATE
GW5 - [nb=6] --> .....-ENYL]PHENYL}ACRYLIC ACID
DGX - [nb=6] --> DIGOXIN
DC8 - [nb=6] --> .....CYCLOPENTA[C]CHROMEN-8-OL
AZ2 - [nb=6] --> .....OXY)PHENYL]PROPANOIC ACID
RO7 - [nb=6] --> .....OPHEN-7-YL}PROPANOIC ACID
SP3 - [nb=6] --> .....METHYL)BENZENESULFONAMIDE
4HD - [nb=6] --> .....0,13,16,19-HEXAENOIC ACID
047 - [nb=6] --> .....L-3-YL]METHYL}METHANAMINE
WLM - [nb=5] --> .....YL]PHENYL]ETHYL]BENZAMIDE
5HE - [nb=5] --> .....,11,14,17-PENTAENOIC ACID
VDX - [nb=5] --> .....LENE-CYCLOHEXANE-1,3-DIOL
61X - [nb=5] --> .....TRIFLUOROMETHYL)QUINOLINE
HIG - [nb=5] --> .....3H-IMIDAZO[4,5-B]PYRIDINE
C08 - [nb=5] --> .....L-KAPPAN}PENTANOATO)BORON
Z27 - [nb=5] --> .....METHYL)BENZENESULFONAMIDE
XPT - [nb=5] --> .....AMBDA~4~-SULFANYL]PROPANE
BIV - [nb=5] --> .....YLPENTYL)-, (1A,3B,5Z,7E)
CTM - [nb=5] --> .....L)-2-ETHOXYPROPANOIC ACID
STL - [nb=5] --> RESVERATROL
08S - [nb=5] --> .....ZOTHIOPHENE-2-CARBOXAMIDE
YFE - [nb=5] --> AMORFRUTIN 1
UNT - [nb=5] --> .....IAZOL-2-YL)PROPANOIC ACID
240 - [nb=5] --> .....YL}PHENOXY)PROPANOIC ACID
SF1 - [nb=5] --> .....-INDOLE-2-CARBOXYLIC ACID
JJA - [nb=5] --> .....YL]AMINO}METHYL)BENZAMIDE
9HO - [nb=5] --> .....TADECA-10,12-DIENOIC ACID
SRO - [nb=5] --> SEROTONIN
13M - [nb=5] --> .....THYL}BENZYL)BUTANOIC ACID
5OX - [nb=5] --> .....,14,17,20-PENTAENOIC ACID
5BC - [nb=5] --> .....1H-INDOL-1-YL)ACETIC ACID
IOK - [nb=4] --> .....L-1H-INDOL-3-YL)ACETAMIDE
WFF - [nb=4] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
EED - [nb=4] --> .....(10),2,4-TRIENE-3,17-DIOL
ODE - [nb=4] --> .....T-5-ENE-2,3-DICARBOXYLATE
RLL - [nb=4] --> .....DROXY-2-METHYLPROPANAMIDE
1HP - [nb=4] --> .....4,5-B]PYRIDIN-6-YL)PHENOL
BHM - [nb=4] --> .....METHYL)PHENYL]PROPANAMIDE
RLJ - [nb=4] --> .....DROXY-2-METHYLPROPANAMIDE
LO2 - [nb=4] --> .....3,3-HEXAFLUOROPROPAN-2-OL
LGB - [nb=4] --> .....INO}-3-METHYLBENZONITRILE
PFA - [nb=4] --> .....ETHYL-PHENYL]-6-AZAURACIL
2S0 - [nb=4] --> .....HENANTHREN-17-YL] ACETATE
ESE - [nb=4] --> .....YLOCTAHYDRO-1H-INDEN-1-OL
CHD - [nb=4] --> CHOLIC ACID
LGD - [nb=4] --> .....METHYL)QUINOLIN-2(1H)-ONE
PK1 - [nb=4] --> .....-THIOXOIMIDAZOLIDIN-4-ONE
0L8 - [nb=4] --> .....DROXYMETHYL)BIPHENYL-4-OL
C0R - [nb=4] --> CORTICOSTERONE
4OH - [nb=4] --> .....-TRIENE-3,15,16,17-TETROL
ZTW - [nb=4] --> RALOXIFENE CORE
JAD - [nb=4] --> .....-YL]-3-METHYLBENZONITRILE
0KT - [nb=4] --> .....PHENYL)BENZENESULFONAMIDE
470 - [nb=4] --> .....YDROPENTALEN-3A(1H)-AMINE
CA4 - [nb=4] --> CYPROTERONE ACETATE
PIZ - [nb=4] --> .....-1,2-DIYL DIHEXADECANOATE
17H - [nb=4] --> .....PREGNA-4,9,11-TRIEN-3-ONE
1GT - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
B66 - [nb=4] --> .....FLUOROMETHYL)BENZONITRILE
66B - [nb=4] --> .....,15,18,21-PENTAENOIC ACID
J2Z - [nb=4] --> .....RA-1,3,5(10)-TRIEN-17-ONE
EZT - [nb=4] --> .....(10),2,4-TRIENE-3,17-DIOL
O90 - [nb=4] --> .....LFANYL]PHENYL}ACETIC ACID
HZ3 - [nb=4] --> .....5-DIENE-2,3-DICARBOXYLATE
ORC - [nb=4] --> .....YLISOXAZOLE-4-SULFONAMIDE
PEF - [nb=4] --> .....-PHOSPHATIDYLETHANOLAMINE
3B6 - [nb=4] --> .....DROXY-2-METHYLPROPANAMIDE
P6L - [nb=4] --> .....PYL (8E)-OCTADEC-8-ENOATE
0D1 - [nb=4] --> .....OETHENE-1,1-DIYL)DIPHENOL
1GM - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
WOW - [nb=4] --> .....N-3-YL]AMINO}BENZONITRILE
1GU - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
O40 - [nb=4] --> .....BAMOYL]AMINO}BENZOIC ACID
1GS - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
JZS - [nb=4] --> .....1H-INDAZOL-1-YL)BENZAMIDE
OBH - [nb=4] --> ......1]hept-5-ene-2-sulfonate
LLC - [nb=4] --> .....YLETHOXY)PHENYL]METHANONE
A48 - [nb=4] --> .....IFLUOROETHYL)AMINO]PHENOL
B67 - [nb=4] --> .....FLUOROPHENOXY)PROPANAMIDE
XDH - [nb=4] --> .....YLBIS(2,6-DICHLOROPHENOL)
056 - [nb=4] --> .....LFANYLMETHYL]BENZOIC ACID
A2K - [nb=4] --> .....PENTA[A]PHENANTHREN-3-ONE
EES - [nb=4] --> .....XYPHENYL)-2H-INDAZOL-5-OL
85Z - [nb=4] --> .....]PHENYL]PROP-2-ENOIC ACID
3E0 - [nb=4] --> .....3-thiazol-2-yl]morpholine
LG7 - [nb=4] --> .....(3H)-YL]-1-NAPHTHONITRILE
LLB - [nb=4] --> .....L)ETHOXY]PHENYL}METHANONE
PIQ - [nb=4] --> .....NYLIMIDAZO[4,5-B]PYRIDINE
NZA - [nb=4] --> .....-INDOLE-2-CARBOXYLIC ACID
NN7 - [nb=4] --> .....METHYL-BENZENESULFONAMIDE
3K2 - [nb=4] --> .....IPHENYL-2-CARBOXYLIC ACID
B5R - [nb=4] --> .....DROXY-2-METHYLPROPANAMIDE
WST - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-9-OL
DAY - [nb=4] --> .....L-1-YL]-2-HYDROXYETHANONE
272 - [nb=4] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
15Q - [nb=4] --> .....METHYL]BIPHENYL-4,4'-DIOL
B68 - [nb=4] --> .....METHYL)PHENYL]PROPANAMIDE
CO1 - [nb=4] --> .....OPENTA[A]PHENANTHREN-3-OL
8NH - [nb=4] --> .....-YL]-3-METHYLBENZONITRILE
FSV - [nb=4] --> .....)ETHENYL]BENZENE-1,3-DIOL
PK0 - [nb=4] --> .....FLUOROMETHYL)BENZONITRILE
EI1 - [nb=4] --> .....XYPHENYL)-2H-INDAZOL-5-OL
NRO - [nb=4] --> .....L)FURAN-2-YL]BENZOIC ACID
LX2 - [nb=4] --> .....1H-INDOL-1-YL]ACETIC ACID
072 - [nb=4] --> .....PTYL-4-OXO-5-THIAZOLIDINE
1GV - [nb=4] --> .....5-DIYLBIS(3-METHYLPHENOL)
KN2 - [nb=4] --> .....ZOL-3-YL)BENZENE-1,3-DIOL
HFN - [nb=4] --> .....-1,4-benzoxazin-3(4H)-one
JJ3 - [nb=4] --> .....CYCLOPENTA[C]CHROMEN-8-OL
MMB - [nb=4] --> .....ROPOXYIMINO)BUTANOIC ACID
4KM - [nb=4] --> .....(trifluoromethyl)benzoate
1GJ - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
1GR - [nb=4] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
ENM - [nb=4] --> .....PENTA[A]PHENANTHREN-3-ONE
L79 - [nb=3] --> .....AN-2-YL]-2-PROPENOIC ACID
GW0 - [nb=3] --> .....METHYLPHENOXY}ACETIC ACID
2QO - [nb=3] --> .....YL-3-YL]PROP-2-ENOIC ACID
43M - [nb=3] --> 4-CHLORO-3-METHYLPHENOL
J35 - [nb=3] --> .....HYL)BENZYL]PENTANOIC ACID
M7S - [nb=3] --> .....HYL}PHENYL)PROPANOIC ACID
CHC - [nb=3] --> .....HYL-CHENODEOXYCHOLIC ACID
208 - [nb=3] --> .....L)-2-ETHOXYPROPANOIC ACID
3SV - [nb=3] --> .....3,7-DIMETHYLOCTANOIC ACID
21L - [nb=3] --> .....APHTHALEN-2-YL}PROPANOATE
HXA - [nb=3] --> .....0,13,16,19-HEXAENOIC ACID
EPA - [nb=3] --> .....,17-EICOSAPENTAENOIC ACID
652 - [nb=3] --> .....IMIDAZOL-4-YL}PROPAN-2-OL
4TN - [nb=3] --> .....YDROXYPHENYL]ACRYLIC ACID
DKD - [nb=3] --> .....)-3-PHENYL-PROPANOIC ACID
LMU - [nb=3] --> DODECYL-ALPHA-D-MALTOSIDE
24L - [nb=3] --> .....THALEN-2-YL}BUTANOIC ACID
YFB - [nb=3] --> AMORFRUTIN B
2E3 - [nb=3] --> .....)PHENYL]PROP-2-ENOIC ACID
GRR - [nb=3] --> .....Y)-3-PHENYLPROPANOIC ACID
3T2 - [nb=3] --> .....]OCTA-2,4,6-TRIENOIC ACID
754 - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
OLA - [nb=3] --> OLEIC ACID
AIT - [nb=3] --> .....DRO-1,4-BENZOXATHIIN-6-OL
HC9 - [nb=3] --> .....)-CHOLEST-5-ENE-3,22-DIOL
TLS - [nb=3] --> .....IPHENYL-2-CARBOXYLIC ACID
BGV - [nb=3] --> .....[6,5-B]FURAN-4-YL ACETATE
4R8 - [nb=3] --> .....,13,16,19-PENTAENOIC ACID
BMS - [nb=3] --> .....ONYL)-AMINO]-BENZOIC ACID
DRJ - [nb=3] --> .....XY)-2-METHYLBUTANOIC ACID
ZBD - [nb=3] --> .....-2-yl]-N-methylbutanamide
1BA - [nb=3] --> .....OPYLBENZYL)BENZOHYDRAZIDE
C3S - [nb=3] --> .....-EN-3-YL HYDROGEN SULFATE
43V - [nb=3] --> .....sulfonyl)phenyl]acetamide
KRC - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
1OH - [nb=3] --> .....THYL-1-PHENYLETHYL)PHENOL
ZAA - [nb=3] --> .....-TRIAZOL-4-YL)ACETIC ACID
TEJ - [nb=3] --> .....,10,25(27)-TETRAEN-26-ONE
HID - [nb=3] --> .....1H-INDOL-3-YL)ACETIC ACID
LD1 - [nb=3] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
394 - [nb=3] --> .....ACETYLAMINO]-BENZOIC ACID
K10 - [nb=3] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
RO0 - [nb=3] --> .....-1-YL]METHYL}ISOQUINOLINE
241 - [nb=3] --> .....YL}PHENOXY)PROPANOIC ACID
GW4 - [nb=3] --> .....Y]PHENYL}PROPYL]ACETAMIDE
1O8 - [nb=3] --> .....LOCTA-2,4,6-TRIENOIC ACID
ZZH - [nb=3] --> .....Y)-3-PHENYLPROPANOIC ACID
LX8 - [nb=3] --> .....-2-YL]PROPAN-2-YL ACETATE
DRY - [nb=3] --> .....NDOL-5-YL)OXY]ACETIC ACID
Z12 - [nb=3] --> .....PHENYL]BENZENESULFONAMIDE
P26 - [nb=3] --> .....IOXOLAN-2-YL]BENZOIC ACID
HC2 - [nb=3] --> 20-HYDROXYCHOLESTEROL
WFG - [nb=3] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
2VZ - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
254 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
3OZ - [nb=3] --> .....METHYLPHENOXY]ACETIC ACID
EK8 - [nb=3] --> .....POXYPHENYL]PROPANOIC ACID
M0T - [nb=3] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
LSJ - [nb=3] --> .....PHENYL}METHANESULFONAMIDE
3RB - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
4P1 - [nb=3] --> .....n-6-yl]-N-methylbenzamide
29M - [nb=3] --> .....L-7-YL]METHANESULFONAMIDE
RB1 - [nb=3] --> .....IMIDIN-3-YL)METHYL]PHENOL
196 - [nb=3] --> .....-HYDROXY-1-NAPHTHONITRILE
C01 - [nb=3] --> .....ISOXAZOL-6-YL)OXY]ACETATE
14R - [nb=3] --> .....IDAZO[4,5-C]PYRIDIN-4-ONE
2VP - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
29V - [nb=3] --> .....ENE]OCTA-3,6-DIENOIC ACID
M7R - [nb=3] --> .....HYL}PHENYL)PROPANOIC ACID
ARL - [nb=3] --> .....LOCTA-2,4,6-TRIENOIC ACID
2VR - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
ZK5 - [nb=3] --> 9ALPHA-FLUOROCORTISOL
2W0 - [nb=3] --> .....)OCTA-2,4,6-TRIENOIC ACID
R4M - [nb=3] --> .....ENE]OCTA-2,6-DIENOIC ACID
EK1 - [nb=3] --> .....HYL)PHENYL]PROPANOIC ACID
RRG - [nb=3] --> .....L-4-YL]OXY}PROPANOIC ACID
184 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
MEI - [nb=3] --> .....YLDODECA-2,4-DIENOIC ACID
DRD - [nb=3] --> .....Y]-2-METHYLPROPANOIC ACID
156 - [nb=3] --> .....L)-PROPENYL]-BENZOIC ACID
SP0 - [nb=3] --> .....L-5-YL]BENZENESULFONAMIDE
PLB - [nb=3] --> .....IDIN-2-YLOXY)BENZOIC ACID
NSI - [nb=3] --> .....]-1H-INDOLE-2-CARBOXAMIDE
564 - [nb=3] --> .....HTALENE-2-CARBOXYLIC ACID
XDI - [nb=3] --> .....IYLBIS(2,6-DIBROMOPHENOL)
KNA - [nb=3] --> NONANOIC ACID
FCM - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
L92 - [nb=3] --> .....YRROL-1-YL)PROPANOIC ACID
5TN - [nb=3] --> .....-2-YL)PHENYL]ACRYLIC ACID
YRG - [nb=3] --> .....Y)-3-PHENYLPROPANOIC ACID
ETC - [nb=3] --> .....TRAHYDROCHRYSENE-2,8-DIOL
17L - [nb=3] --> .....O[B,D]FURAN-4-CARBOXAMIDE
27G - [nb=2] --> .....BENZENE-1,2-DICARBOXYLATE
XX9 - [nb=2] --> .....-(DIMETHYLAMINO)BENZAMIDE
MSZ - [nb=2] --> .....HYL)PHENOXY]ETHANOIC ACID
J3Z - [nb=2] --> .....RA-1,3,5(10)-TRIEN-17-ONE
31D - [nb=2] --> .....ENZOYL}AMINO)BENZOIC ACID
369 - [nb=2] --> .....)-7-METHYLNAPHTHALEN-2-OL
4KQ - [nb=2] --> .....enyl]phenyl]ethanoic acid
OOK - [nb=2] --> .....-3,5-DIFLUOROBENZOIC ACID
689 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
IOG - [nb=2] --> .....)-1H-INDOL-3-YL]ACETAMIDE
C3D - [nb=2] --> .....TETRAHYDRONAPHTHALEN-2-OL
6OC - [nb=2] --> .....CTADECA-9,12-DIENOIC ACID
789 - [nb=2] --> .....OXYPHENYL)-1H-INDEN-1-ONE
RRH - [nb=2] --> .....L-4-YL]OXY}PROPANOIC ACID
697 - [nb=2] --> .....BENZOFURAN-7-CARBONITRILE
OOF - [nb=2] --> .....ACETYL}AMINO)BENZOIC ACID
OMM - [nb=2] --> .....INO)-3-FLUOROBENZOIC ACID
E3O - [nb=2] --> .....(10)-TRIENE-3,16,17-TRIOL
SU4 - [nb=2] --> .....PROPYL]BENZENESULFONAMIDE
OMK - [nb=2] --> .....2-METHYLPHENYL)ETHANAMIDE
ZXG - [nb=2] --> .....L]PHENYL HYDROGEN SULFATE
CTI - [nb=2] --> .....,6-c]phenanthridin-12-ium
PLC - [nb=2] --> .....ECYL PHOSPHATIDYL CHOLINE
0W3 - [nb=2] --> .....-DIOXODOCOS-16-ENOIC ACID
27N - [nb=2] --> .....OETHANE-1,1-DIYL)DIPHENOL
AIU - [nb=2] --> .....DRO-1,4-BENZOXATHIIN-6-OL
DRQ - [nb=2] --> .....,3,5(10)-TRIENE-3,17-DIOL
36M - [nb=2] --> propyl 4-hydroxybenzoate
0VQ - [nb=2] --> .....METHYL)OCTA-3,5-DIEN-2-OL
P0E - [nb=2] --> PHOSPHATIDYL ETHANOL
27K - [nb=2] --> BUTYL 4-HYDROXYBENZOATE
MCZ - [nb=2] --> .....NA-5,7,10-TRIENE-1,3-DIOL
PIK - [nb=2] --> .....-1,2-DIYL DIHEXADECANOATE
VD4 - [nb=2] --> .....OESTRA-5,7-DIENE-1,3-DIOL
EHA - [nb=2] --> .....1H-INDOL-1-YL)ACETIC ACID
AXY - [nb=2] --> .....YL-4-YLOXY)PROPANOIC ACID
E4D - [nb=2] --> .....ENZO[B][1,4]OXATHIIN-6-OL
CM4 - [nb=2] --> .....THOXY)PHENYL]CHROMAN-6-OL
G24 - [nb=2] --> .....METHYLPHENOXY]ACETIC ACID
W14 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-7-OL
27M - [nb=2] --> .....DIHYDROXYPHENYL)METHANONE
OKI - [nb=2] --> .....,2-DICYCLOHEXYLETHANAMIDE
D30 - [nb=2] --> .....ALEN-1-YL)OXY]ACETIC ACID
6OB - [nb=2] --> .....CTADECA-8,12-DIENOIC ACID
DKA - [nb=2] --> DECANOIC ACID
XCX - [nb=2] --> .....Y)-2-METHYLPROPANOIC ACID
FMV - [nb=2] --> .....NA-5,7,10-TRIENE-1,3-DIOL
LD2 - [nb=2] --> .....-1,4-BENZOXAZIN-3(4H)-ONE
0VP - [nb=2] --> .....BIPHENYL-4-YL)PENTAN-3-OL
3AS - [nb=2] --> .....CYCLOPENTA[C]CHROMEN-8-OL
L4G - [nb=2] --> .....Y)PHENOXY]NAPHTHALEN-2-OL
459 - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
CM3 - [nb=2] --> .....THOXY)PHENYL]CHROMAN-6-OL
1GQ - [nb=2] --> .....ZOL-3-YL]BENZENE-1,3-DIOL
ESL - [nb=2] --> ESTRIOL
CEK - [nb=2] --> .....O[B,D]FURAN-4-CARBOXAMIDE
IVM - [nb=2] --> .....-L-arabino-hexopyranoside
27L - [nb=2] --> .....IMETHYLPENTAN-2-YL)PHENOL
27E - [nb=2] --> CHLORDECONE
27H - [nb=2] --> FERUTININE
DIF - [nb=2] --> .....)AMINO]BENZENEACETIC ACID
AIH - [nb=2] --> .....DRO-1,4-BENZOXATHIIN-6-OL
EEU - [nb=2] --> .....RIDINIUM TETRAACETIC ACID
338 - [nb=2] --> .....-YL)-1,3-BENZOOXAZOL-6-OL
735 - [nb=2] --> .....YL}PHENOXY)PROPANOIC ACID
STE - [nb=2] --> STEARIC ACID
27J - [nb=2] --> ALPHA-ZEARALANOL
4NA - [nb=2] --> .....HYDROXYPHENYL)-2-NAPHTHOL
041 - [nb=2] --> .....VINYL-1,3-BENZOXAZOL-5-OL
IH5 - [nb=2] --> .....HENOXY]PHENYL}ACETIC ACID
P3A - [nb=2] --> .....LGLYCEROL-PHOSPHOGLYCEROL
T3O - [nb=2] --> ......3.1]NON-7-EN-2-YL]PHENOL
W23 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
0CZ - [nb=2] --> .....PROPANE-2,2-DIYL)DIPHENOL
MUF - [nb=2] --> .....5-DIENE-3-CARBOXYLIC ACID
OLF - [nb=2] --> .....INO)-3-METHYLBENZOIC ACID
YJD - [nb=2] --> .....YBENZIMIDAZOL-1-YL)PHENOL
Q97 - [nb=2] --> .....T-1-ENE-1,2-DIYL]DIPHENOL
2PQ - [nb=2] --> .....Y]-2-METHYLPROPANOIC ACID
AIJ - [nb=2] --> .....DRO-1,4-BENZOXATHIIN-6-OL
CA9 - [nb=2] --> .....L-CYCLOHEX-4-ENE-1,3-DIOL
797 - [nb=2] --> .....L)-BENZO[D]ISOOXAZOL-6-OL
T44 - [nb=2] --> .....,5'-TETRAIODO-L-THYRONINE
WV7 - [nb=2] --> .....ETRAHYDROISOQUINOLIN-6-OL
ET0 - [nb=2] --> .....INDOL-3-YL)PROPANOIC ACID
G58 - [nb=2] --> .....H-IMIDAZOLE-4-SULFONAMIDE
555 - [nb=2] --> .....L)-1-NAPHTHALDEHYDE OXIME
LU2 - [nb=2] --> .....IHYDROXY-4H-CHROMEN-4-ONE
C5D - [nb=1] --> .....DENE]CYCLOHEXANE-1,3-DIOL
DS5 - [nb=1] --> .....YL)PHENOXY]PENTANOIC ACID
643 - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
59G - [nb=1] --> .....IOPHENE-3-CARBOXYLIC ACID
COV - [nb=1] --> .....TA-5,7,10-TRIENE-1,3-DIOL
3EV - [nb=1] --> .....,7,10-TRIENE-1,3,25-TRIOL
VDB - [nb=1] --> .....RA-5,7,16-TRIENE-1,3-DIOL
0CO - [nb=1] --> .....LA-5,7,10-TRIENE-1,3-DIOL
XE4 - [nb=1] --> .....]ETHYLIDENE]-, (1R,3S,5Z)
484 - [nb=1] --> .....BIPHENYL-4-YL)PENTAN-3-OL
DS3 - [nb=1] --> .....HYLPHENOXY}PENTANOIC ACID
VHW - [nb=1] --> .....LATE (NON-PREFERRED NAME)
NEQ - [nb=1] --> N-ETHYLMALEIMIDE
TFY - [nb=1] --> .....THYL]CYCLOHEXANE-1,3-DIOL
33Y - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
2MI - [nb=1] --> 2-METHYL-1H-INDOLE
VDA - [nb=1] --> .....RA-5,7,16-TRIENE-1,3-DIOL
FEX - [nb=1] --> .....HYL}AMINO]PHENYL}ACRYLATE
MON - [nb=1] --> .....N-2-YL]AMINO}ETHYL)PHENOL
IU5 - [nb=1] --> ISO-URSODEOXYCHOLIC ACID
DS6 - [nb=1] --> .....HYLPHENOXY]PENTANOIC ACID
088 - [nb=1] --> .....-1-YL)METHYL]BENZOIC ACID
EB1 - [nb=1] --> SEOCALCITOL
3AJ - [nb=1] --> .....)CYCLOPROPANECARBONITRILE
034 - [nb=1] --> .....-INDOLE-2-CARBOXYLIC ACID
TEY - [nb=1] --> .....THYL]CYCLOHEXANE-1,3-DIOL
O1C - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
BPZ - [nb=1] --> .....LOHEXANE-1,1-DIYLDIPHENOL
G72 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
0KS - [nb=1] --> .....-METHYLBENZENESULFONAMIDE
0VO - [nb=1] --> .....3-ETHYLNONA-4,6-DIEN-3-OL
FBR - [nb=1] --> .....TRAHYDRO-3H-FLUOREN-3-ONE
GOL - [nb=1] --> GLYCEROL
ZYD - [nb=1] --> .....IDENECYCLOHEXANE-1,3-DIOL
10S - [nb=1] --> .....ICARBA-CLOSO-DODECABORANE
P88 - [nb=1] --> .....INOLINE-3-CARBOXYLIC ACID
OCC - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
40U - [nb=1] --> .....L}-2-CYCLOPROPYLACETAMIDE
YS3 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
ZNE - [nb=1] --> .....IDENECYCLOHEXANE-1,3-DIOL
OKH - [nb=1] --> .....IDAZOLE-6-CARBOXYLIC ACID
VDZ - [nb=1] --> .....LENE-CYCLOHEXANE-1,3-DIOL
397 - [nb=1] --> .....XY-PHENYL)BENZOFURAN-5-OL
MC9 - [nb=1] --> CALCIPOTRIOL
36J - [nb=1] --> .....zoxacyclotetradecin-1-one
YS5 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
AOE - [nb=1] --> .....-YL]-N-METHYLUNDECANAMIDE
DS2 - [nb=1] --> .....METHYLPHENOXY}ACETIC ACID
17M - [nb=1] --> .....17-ALPHA-DIHYDROEQUILENIN
DS4 - [nb=1] --> .....BIPHENYL-4-YL]ACETIC ACID
KH1 - [nb=1] --> .....LENE-CYCLOHEXANE-1,3-DIOL
YSD - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
064 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
JN3 - [nb=1] --> CHENODEOXYCHOLIC ACID
VD5 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
SRL - [nb=1] --> .....HONIC ACID DIETHLYL ESTER
2MV - [nb=1] --> .....TA-5,7,10-TRIENE-1,3-DIOL
4OA - [nb=1] --> .....HYDROXYCHOLAN-24-OIC ACID
82X - [nb=1] --> .....HIOPHEN-2-YL)BENZOIC ACID
635 - [nb=1] --> .....,5-B]INDOLE-5-CARBOXYLATE
0VK - [nb=1] --> .....BIPHENYL-4-YL)PENTAN-3-OL
ED9 - [nb=1] --> .....,7,10-TRIENE-1,3,25-TRIOL
2KB - [nb=1] --> .....en-2-yl]oxy}butanenitrile
RFP - [nb=1] --> RIFAMPICIN
37G - [nb=1] --> .....-INDOLE-3-CARBOXYLIC ACID
0S4 - [nb=1] --> .....2-METHYLPHENOXY}ACETAMIDE
0U3 - [nb=1] --> .....2-METHYLPHENOXY}ACETAMIDE
OEF - [nb=1] --> .....OPYL-PHENOXY)BENZOIC ACID
C3O - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
O62 - [nb=1] --> .....THALENE-1-CARBOXYLIC ACID
AV6 - [nb=1] --> .....DIN-2-YL)BENZENE-1,2-DIOL
H97 - [nb=1] --> .....OESTRA-5,7-DIENE-1,3-DIOL
10R - [nb=1] --> .....ICARBA-CLOSO-DODECABORANE
MVD - [nb=1] --> .....A,25-DIHYDROXY-VITAMIN D3
6DS - [nb=1] --> .....YL)PHENOXY]PENTANOIC ACID
458 - [nb=1] --> ......3.1]NON-7-EN-2-YL]PHENOL
FMT - [nb=1] --> FORMIC ACID
708 - [nb=1] --> .....ENYL)ETHENYL]BENZOIC ACID
89P - [nb=1] --> .....INOLINE-2-CARBOXYLIC ACID
TX5 - [nb=1] --> .....DENE)CYCLOHEXANE-1,3-DIOL
C33 - [nb=1] --> .....HA,25-DIHYDROXYVITAMIN D3
23R - [nb=1] --> .....LA-5,7,10-TRIENE-1,3-DIOL
EIM - [nb=1] --> .....DENE-CYCLOHEXANE-1,3-DIOL
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_NR1A1_THRa
20
90%
0.523
PF00105
C4_S1
137 -
(0)
10
- /
17
/ -
7
2
H_NR1A2_THRb
19
100%
0.545
PF00105
C2_S1
142 -
(0)
9
5
/
11
/ -
6
3
H_NR1B1_RARa
32
100%
0.576
PF00105
C5_S1
178 -
(0)
20
21
/
8
/
3
15
4
H_NR1B2_RARb
32
100%
0.526
PF00105
C2_S1
185 -
(0)
20
21
/
8
/
3
15
5
H_NR1B3_RARg
32
100%
0.868
PF00105
C4_S1
192 -
(0)
20
21
/
9
/
2
15
6
H_NR1C1_PPARa
202
100%
0.804
PF00105
C3_S1
240 -
(0)
20
23
/
99
/
79
71
7
H_NR1C2_PPARb
158
100%
0.816
PF00105
C3_S1
255 -
(0)
20
19
/
86
/
52
71
8
H_NR1C3_PPARg
202
100%
0.617
PF00105
C3_S1
242 -
(0)
20
58
/
88
/
53
103
9
H_NR1F1_RORa
38
100%
0.806
PF00105
C2_S1
86 -
(0)
20
2
/
31
/
4
15
10
H_NR1F2_RORb
38
98%
0.835
PF00105
C2_S1
69 -
(0)
20
2
/
31
/
5
17
11
H_NR1F3_RORg
38
100%
0.620
PF00105
C4_S1
90 -
(0)
20
8
/
27
/
3
16
12
H_NR1H2_LXRb
39
100%
0.665
PF00105
C4_S1
189 -
(0)
20
19
/
8
/
4
15
13
H_NR1H3_LXRa
40
100%
0.556
PF00105
C2_S1
183 -
(0)
20
21
/
10
/
6
13
14
H_NR1H4_FXR
40
100%
0.717
PF00105
C3_S1
194 -
(0)
20
33
/
4
/
3
23
15
H_NR1I1_VDR
73
100%
0.780
PF00105
C2_S1
188 -
(0)
20
70
/
3
/ -
55
16
H_NR1I2_PXR
20
100%
0.668
PF00105
C4_S1
170 -
(0)
5
1
/
3
/ -
4
17
H_NR2B1_RXRa
81
100%
0.659
PF00105
C3_S1
175 -
(0)
20
22
/
42
/
10
32
18
H_NR2B2_RXRb
87
100%
0.574
PF00105
C3_S1
160 -
(0)
20
21
/
43
/
10
32
19
H_NR2B3_RXRg
82
100%
0.530
PF00105
C3_S1
168 -
(0)
20
23
/
38
/
11
31
20
H_NR3A1_ESRa
182
100%
0.738
PF00105
C6_S1
189 -
(0)
20
33
/
118
/
29
75
21
H_NR3A2_ESRb
191
100%
0.646
PF00105
C4_S1
221 -
(0)
20
28
/
133
/
30
78
22
H_NR3B1_ERRa
31
100%
0.582
PF00105
C2_S1
227 -
(0)
17
3
/
19
/
4
9
23
H_NR3B2_ERRb
30
79%
0.623
PF00105
C5_S1
264 -
(0)
15
- /
17
/
7
8
24
H_NR3B3_ERRg
31
100%
0.633
PF00105
C5_S1
259 -
(0)
17
2
/
20
/
4
8
25
H_NR3C1_GCR
158
99%
0.612
PF00105
C4_S1
200 -
(0)
20
20
/
113
/
18
34
26
H_NR3C2_MCR
170
99%
0.590
PF00105
C5_S1
209 -
(0)
20
9
/
131
/
28
32
27
H_NR3C3_PRGR
167
100%
0.821
PF00105
C3_S1
223 -
(0)
20
17
/
131
/
19
41
28
H_NR3C4_ANDR
154
100%
0.795
PF00105
C2_S1
226 -
(0)
20
12
/
120
/
17
48
29
H_NR5A1_STF1
21
99%
0.597
PF00105
C2_S1
55 -
(0)
14
13
/
3
/ -
9
30
H_NR5A2_LRH1
25
100%
0.675
PF00105
C2_S1
131 -
(0)
15
13
/
3
/
1
9
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