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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02254834

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.77
12M(2-ETHYLPHENYL)METHANOLA,B2F620.83
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.81
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.83
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.83
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.83
ESTESTRADIOLA,B1GWR0.7
ESTESTRADIOLA1FDS0.7
ESTESTRADIOLA,B,C1G500.7
ESTESTRADIOLA,B,C,D,E,F1ERE0.7
ESTESTRADIOLA,B1A520.7
ESTESTRADIOLA1FDT0.7
ESTESTRADIOLA2OCF0.7
ESTESTRADIOLA,B,C1QKU0.7
ESTESTRADIOLA,B,C,D,L1E6W0.7
ESTESTRADIOLA1IOL0.7
ESTESTRADIOLH1JNN0.7
ESTESTRADIOLB1QKT0.7
ESTESTRADIOLA1FDW0.7
ESTESTRADIOLA,B1AQU0.7
ESTESTRADIOLA1LHU0.7
ESTESTRADIOLA1A270.7
ESTESTRADIOLL1JGL0.7
ESTESTRADIOLA,B,E,F1PCG0.7
ESTESTRADIOLA,B,C,D1FDU0.7
ESTESTRADIOLA2J7X0.7
ESTESTRADIOLA,B2D060.7
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.73
MNN(S)-MANDELIC ACID NITRILEA1YB60.71
B08A,B2E990.78
SS11-PHENYLETHANOLH1UM50.78
2MP3,4-DIMETHYLPHENOLA1L5O0.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.78
ANFANTHRONEH2BJM0.77
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.78
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.78
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.78
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.78
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.78
NPYNAPHTHALENEA,B1O7G0.77
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.78
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.78
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.78
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
BDBA,B1KE30.72
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
B28A,B2E9A0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.77
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.73
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.92
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.78
AN3ANTHRACENEA,B2HMN0.75
AN3ANTHRACENEA,B2HMM0.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.72
PEL2-PHENYL-ETHANOLA,B1I0D0.84
PEL2-PHENYL-ETHANOLD,H2I0T0.84
PEL2-PHENYL-ETHANOLA,B1HZY0.84
PEL2-PHENYL-ETHANOLA,B1I0B0.84
PEL2-PHENYL-ETHANOLA1EYW0.84
PEL2-PHENYL-ETHANOLA,B1JGM0.84
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.71
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.71
OBZO-benzylhydroxylamineA,B3DTH0.7
OBZO-benzylhydroxylamineA,B3DTG0.7
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.79
PEYPHENANTHRENEA,B2HML0.75
PEYPHENANTHRENEA,B2HMK0.75
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.73
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.73
1NP1-NAPHTHOLX2ZVQ0.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.72
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
BFLA,B1Q4G0.75
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.86
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
341(3,5-difluorophenyl)methanolC3EON0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72