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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009452

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.7
FNP{[7-(DIFLUORO-PHOSPHONO-METHYL)-
NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-
PHOSPHONIC ACID
A1KAK0.71
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
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.73
SS2(1R)-1-PHENYLETHANOLA1ZK00.76
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.76
SS2(1R)-1-PHENYLETHANOLA1ZJY0.76
MNN(S)-MANDELIC ACID NITRILEA1YB60.71
B08A,B2E990.78
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.72
12M(2-ETHYLPHENYL)METHANOLA,B2F620.8
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
NPYNAPHTHALENEA,B1O7G0.77
BDBA,B1KE30.72
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
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
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.88
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.8
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.8
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.78
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.8
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
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.8
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.8
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.8
OBZO-benzylhydroxylamineA,B3DTH0.7
OBZO-benzylhydroxylamineA,B3DTG0.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.8
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.8
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.79
ANFANTHRONEH2BJM0.79
2NAnaphthalen-2-ylmethanolA,B,C3EE50.94
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.7
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.7
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.79
SS11-PHENYLETHANOLH1UM50.76
PEYPHENANTHRENEA,B2HML0.77
PEYPHENANTHRENEA,B2HMK0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
1NP1-NAPHTHOLX2ZVQ0.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.72
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.75
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
BFLA,B1Q4G0.75
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.72
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.8
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
341(3,5-difluorophenyl)methanolC3EON0.71
AN3ANTHRACENEA,B2HMN0.77
AN3ANTHRACENEA,B2HMM0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.79
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.79
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.79
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.79
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.79
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.79
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.79
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.79
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.79
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.79
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.79
B28A,B2E9A0.79