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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02270867

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.71
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.83
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.81
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.81
SS2(1R)-1-PHENYLETHANOLA1ZJY0.81
12M(2-ETHYLPHENYL)METHANOLA,B2F620.79
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.77
RSOR-STYRENE OXIDEA,B1PWZ0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.74
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
SS11-PHENYLETHANOLH1UM50.81
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
PEL2-PHENYL-ETHANOLA,B1I0D0.72
PEL2-PHENYL-ETHANOLD,H2I0T0.72
PEL2-PHENYL-ETHANOLA,B1HZY0.72
PEL2-PHENYL-ETHANOLA,B1I0B0.72
PEL2-PHENYL-ETHANOLA1EYW0.72
PEL2-PHENYL-ETHANOLA,B1JGM0.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.74
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.77
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74
341(3,5-difluorophenyl)methanolC3EON0.76
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72