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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009957

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.89
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.81
SS11-PHENYLETHANOLH1UM50.78
341(3,5-difluorophenyl)methanolC3EON0.91
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.89
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.89
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.78
PEL2-PHENYL-ETHANOLA,B1I0D0.74
PEL2-PHENYL-ETHANOLD,H2I0T0.74
PEL2-PHENYL-ETHANOLA,B1HZY0.74
PEL2-PHENYL-ETHANOLA,B1I0B0.74
PEL2-PHENYL-ETHANOLA1EYW0.74
PEL2-PHENYL-ETHANOLA,B1JGM0.74
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO1
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD1
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
MNN(S)-MANDELIC ACID NITRILEA1YB60.74
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72