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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02183046

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,B1QV60.73
MNN(S)-MANDELIC ACID NITRILEA1YB60.76
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.75
SS2(1R)-1-PHENYLETHANOLA1ZK00.81
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.81
SS2(1R)-1-PHENYLETHANOLA1ZJY0.81
341(3,5-difluorophenyl)methanolC3EON0.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.76
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.78
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
LJ33,5-dibromobiphenyl-4-olA,B3CN20.76
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.87
12M(2-ETHYLPHENYL)METHANOLA,B2F620.81
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.73
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.73
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
SS11-PHENYLETHANOLH1UM50.81
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.74
2LP2-ALLYLPHENOLA1OV50.7
RSOR-STYRENE OXIDEA,B1PWZ0.71