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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03374969

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.8
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.72
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.74
SS11-PHENYLETHANOLH1UM50.77
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
1NP1-NAPHTHOLX2ZVQ0.82
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.77
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.75
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.77
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.75
FLPFLURBIPROFENA,B,C,D3PGH0.7
FLPFLURBIPROFENA,B1CQE0.7
FLPFLURBIPROFENA,B1EQH0.7
FLPFLURBIPROFENA,B2AYL0.7
FLPFLURBIPROFENA1DVT0.7
FLPFLURBIPROFENA1R9O0.7
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.8
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.71
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.71
4FCA1YSG0.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.76
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.76
BPYBIPHENYL-2,3-DIOLA1KMY0.73
BPYBIPHENYL-2,3-DIOLB1KW80.73
BPYBIPHENYL-2,3-DIOLA2EI30.73
BPYBIPHENYL-2,3-DIOLA1EIR0.73
BPYBIPHENYL-2,3-DIOLB1KW60.73
BPYBIPHENYL-2,3-DIOLB1KWC0.73
BPYBIPHENYL-2,3-DIOLB1KW90.73
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.74
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.79
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.78
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.71
AN3ANTHRACENEA,B2HMN0.71
AN3ANTHRACENEA,B2HMM0.71
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.72
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.76
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
IBPIBUPROFENA3FKX0.7
IBPIBUPROFENA,B2BXG0.7
IBPIBUPROFENA,B1EQG0.7
IBPIBUPROFENA,B,C2WD90.7
IBPIBUPROFENA2PWS0.7
EQIEQUILINA,B1EQU0.7
ESTESTRADIOLA,B1GWR0.74
ESTESTRADIOLA1FDS0.74
ESTESTRADIOLA,B,C1G500.74
ESTESTRADIOLA,B,C,D,E,F1ERE0.74
ESTESTRADIOLA,B1A520.74
ESTESTRADIOLA1FDT0.74
ESTESTRADIOLA2OCF0.74
ESTESTRADIOLA,B,C1QKU0.74
ESTESTRADIOLA,B,C,D,L1E6W0.74
ESTESTRADIOLA1IOL0.74
ESTESTRADIOLH1JNN0.74
ESTESTRADIOLB1QKT0.74
ESTESTRADIOLA1FDW0.74
ESTESTRADIOLA,B1AQU0.74
ESTESTRADIOLA1LHU0.74
ESTESTRADIOLA1A270.74
ESTESTRADIOLL1JGL0.74
ESTESTRADIOLA,B,E,F1PCG0.74
ESTESTRADIOLA,B,C,D1FDU0.74
ESTESTRADIOLA2J7X0.74
ESTESTRADIOLA,B2D060.74
B08A,B2E990.75
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.82
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.79
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.79
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.82
D1NNAPHTHALENE-1,2-DIOLA2EI10.76
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.74
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.74
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.74
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.75
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.71
PEYPHENANTHRENEA,B2HML0.71
PEYPHENANTHRENEA,B2HMK0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.78
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.77
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.77
SS2(1R)-1-PHENYLETHANOLA1ZJY0.77
FBCA,B2B9A0.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.83
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.83
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.83
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.76
ETY4-ethylphenolA,B,C,D2RA60.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.7
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.81
BFLA,B1Q4G0.72
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.83
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.83
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.83
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.71
OX1H,Y1LO20.75
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.83
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.83
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.79
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.77
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.8
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.8
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.7
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.9
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.78
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.81
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.79
26CA,B2F7I0.7
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
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,D1RDT0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
B28A,B2E9A0.76
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.83
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
ANFANTHRONEH2BJM0.83
2LP2-ALLYLPHENOLA1OV50.72
EQUEQUILENINA,B1OGX0.76
EQUEQUILENINA,B,C,D,E,F1QJG0.76
EQUEQUILENINA,B1OH00.76
EQUEQUILENINA1W6Y0.76
EQUEQUILENINA,B1CQS0.76
EQUEQUILENINA1OGZ0.76
EQUEQUILENINA1GS30.76
EQUEQUILENINA1OHO0.76
DFADIPHENYLACETIC ACIDA,B,C1GMY0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.72
LJ33,5-dibromobiphenyl-4-olA,B3CN20.7
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71
ESLESTRIOLA1X8V0.72