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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02236189

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
PEL2-PHENYL-ETHANOLA,B1I0D0.83
PEL2-PHENYL-ETHANOLD,H2I0T0.83
PEL2-PHENYL-ETHANOLA,B1HZY0.83
PEL2-PHENYL-ETHANOLA,B1I0B0.83
PEL2-PHENYL-ETHANOLA1EYW0.83
PEL2-PHENYL-ETHANOLA,B1JGM0.83
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.78
12M(2-ETHYLPHENYL)METHANOLA,B2F620.82
MNN(S)-MANDELIC ACID NITRILEA1YB60.71
SS11-PHENYLETHANOLH1UM50.78
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.8
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.72
341(3,5-difluorophenyl)methanolC3EON0.7
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.86