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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02792581

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PHLL-PHENYLALANINOLA,B1JOH0.71
PHLL-PHENYLALANINOLI3APR0.71
PHLL-PHENYLALANINOLA1DLZ0.71
PHLL-PHENYLALANINOLA1IH90.71
PHLL-PHENYLALANINOLA1OB40.71
PHLL-PHENYLALANINOLI2ER60.71
PHLL-PHENYLALANINOLA1R9U0.71
PHLL-PHENYLALANINOLA1OB70.71
PHLL-PHENYLALANINOLA,B1OB60.71
PHLL-PHENYLALANINOLA,B,C1AMT0.71
PEL2-PHENYL-ETHANOLA,B1I0D0.82
PEL2-PHENYL-ETHANOLD,H2I0T0.82
PEL2-PHENYL-ETHANOLA,B1HZY0.82
PEL2-PHENYL-ETHANOLA,B1I0B0.82
PEL2-PHENYL-ETHANOLA1EYW0.82
PEL2-PHENYL-ETHANOLA,B1JGM0.82
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
B28A,B2E9A0.75
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.79
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.77
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.81
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.7
B08A,B2E990.74
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.7
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.7
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.71
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.7
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.81
SS11-PHENYLETHANOLH1UM50.75
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.72
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.73
BFLA,B1Q4G0.73
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.7
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.77
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
BDBA,B1KE30.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.82
2HT3-methylbenzonitrileA,B3F880.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.75
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.75
SS2(1R)-1-PHENYLETHANOLA1ZJY0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.72