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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00465727

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.76
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
B28A,B2E9A0.75
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.78
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.74
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.81
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.81
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
SS11-PHENYLETHANOLH1UM50.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.92
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.92
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.92
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.92
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.92
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.92
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.92
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.92
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.92
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.92
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.92
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.77
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.77
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.74
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.75
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.91
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.74
EQUEQUILENINA,B1OGX0.72
EQUEQUILENINA,B,C,D,E,F1QJG0.72
EQUEQUILENINA,B1OH00.72
EQUEQUILENINA1W6Y0.72
EQUEQUILENINA,B1CQS0.72
EQUEQUILENINA1OGZ0.72
EQUEQUILENINA1GS30.72
EQUEQUILENINA1OHO0.72
B08A,B2E990.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.71
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.92
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.81
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.72
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.73
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.77
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID
A,D1RDT0.71
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.75
ANFANTHRONEH2BJM0.84
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.76
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.94
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.93
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.76
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.71
ESTESTRADIOLA,B1GWR0.76
ESTESTRADIOLA1FDS0.76
ESTESTRADIOLA,B,C1G500.76
ESTESTRADIOLA,B,C,D,E,F1ERE0.76
ESTESTRADIOLA,B1A520.76
ESTESTRADIOLA1FDT0.76
ESTESTRADIOLA2OCF0.76
ESTESTRADIOLA,B,C1QKU0.76
ESTESTRADIOLA,B,C,D,L1E6W0.76
ESTESTRADIOLA1IOL0.76
ESTESTRADIOLH1JNN0.76
ESTESTRADIOLB1QKT0.76
ESTESTRADIOLA1FDW0.76
ESTESTRADIOLA,B1AQU0.76
ESTESTRADIOLA1LHU0.76
ESTESTRADIOLA1A270.76
ESTESTRADIOLL1JGL0.76
ESTESTRADIOLA,B,E,F1PCG0.76
ESTESTRADIOLA,B,C,D1FDU0.76
ESTESTRADIOLA2J7X0.76
ESTESTRADIOLA,B2D060.76
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.77
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.76
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.73
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.74
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.74
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.74
ESLESTRIOLA1X8V0.74
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.73
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.73
OX1H,Y1LO20.72
PEYPHENANTHRENEA,B2HML0.72
PEYPHENANTHRENEA,B2HMK0.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
1NP1-NAPHTHOLX2ZVQ0.77
PEL2-PHENYL-ETHANOLA,B1I0D0.72
PEL2-PHENYL-ETHANOLD,H2I0T0.72
PEL2-PHENYL-ETHANOLA,B1HZY0.72
PEL2-PHENYL-ETHANOLA,B1I0B0.72
PEL2-PHENYL-ETHANOLA1EYW0.72
PEL2-PHENYL-ETHANOLA,B1JGM0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.72
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.94
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.94
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.94
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.83
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.94
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.94
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.94
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.83
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.72
AN3ANTHRACENEA,B2HMN0.72
AN3ANTHRACENEA,B2HMM0.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.79
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.72
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.94
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.94