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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02878587

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,B1O7P0.75
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.73
MNN(S)-MANDELIC ACID NITRILEA1YB60.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.8
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.82
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.81
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.81
2LP2-ALLYLPHENOLA1OV50.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.76
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.76
PEL2-PHENYL-ETHANOLA,B1I0D0.76
PEL2-PHENYL-ETHANOLD,H2I0T0.76
PEL2-PHENYL-ETHANOLA,B1HZY0.76
PEL2-PHENYL-ETHANOLA,B1I0B0.76
PEL2-PHENYL-ETHANOLA1EYW0.76
PEL2-PHENYL-ETHANOLA,B1JGM0.76
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.76
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.72
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
341(3,5-difluorophenyl)methanolC3EON0.8
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.74
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
OBPA,B2DE30.71
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.81
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.7
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74