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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03504764

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.89
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.78
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.75
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.75
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
EQUEQUILENINA,B1OGX0.74
EQUEQUILENINA,B,C,D,E,F1QJG0.74
EQUEQUILENINA,B1OH00.74
EQUEQUILENINA1W6Y0.74
EQUEQUILENINA,B1CQS0.74
EQUEQUILENINA1OGZ0.74
EQUEQUILENINA1GS30.74
EQUEQUILENINA1OHO0.74
B28A,B2E9A0.75
ESTESTRADIOLA,B1GWR0.72
ESTESTRADIOLA1FDS0.72
ESTESTRADIOLA,B,C1G500.72
ESTESTRADIOLA,B,C,D,E,F1ERE0.72
ESTESTRADIOLA,B1A520.72
ESTESTRADIOLA1FDT0.72
ESTESTRADIOLA2OCF0.72
ESTESTRADIOLA,B,C1QKU0.72
ESTESTRADIOLA,B,C,D,L1E6W0.72
ESTESTRADIOLA1IOL0.72
ESTESTRADIOLH1JNN0.72
ESTESTRADIOLB1QKT0.72
ESTESTRADIOLA1FDW0.72
ESTESTRADIOLA,B1AQU0.72
ESTESTRADIOLA1LHU0.72
ESTESTRADIOLA1A270.72
ESTESTRADIOLL1JGL0.72
ESTESTRADIOLA,B,E,F1PCG0.72
ESTESTRADIOLA,B,C,D1FDU0.72
ESTESTRADIOLA2J7X0.72
ESTESTRADIOLA,B2D060.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.77
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.77
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.77
2MP3,4-DIMETHYLPHENOLA1L5O0.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
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
2NAnaphthalen-2-ylmethanolA,B,C3EE50.85
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.74
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.8
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.73
B08A,B2E990.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.72
SS11-PHENYLETHANOLH1UM50.73
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.89
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
ANFANTHRONEH2BJM0.84
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.76
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.76
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.75
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.87
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.76
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.89
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.77
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.73
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.73
ESLESTRIOLA1X8V0.7
PEYPHENANTHRENEA,B2HML0.72
PEYPHENANTHRENEA,B2HMK0.72
OX1H,Y1LO20.77
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.7
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.87
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.87
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.87
1NP1-NAPHTHOLX2ZVQ0.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.72
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.87
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.87
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.87
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.87
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.87
SS2(1R)-1-PHENYLETHANOLA1ZK00.73
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZJY0.73
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.8
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
AN3ANTHRACENEA,B2HMN0.72
AN3ANTHRACENEA,B2HMM0.72
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.75
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.72