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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006372

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.83
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.81
341(3,5-difluorophenyl)methanolC3EON0.81
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.8
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.8
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.8
SS11-PHENYLETHANOLH1UM50.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
3BZ3-chlorobenzoateX2QVZ0.77
3BZ3-chlorobenzoateX2QVX0.77
43M4-CHLORO-3-METHYLPHENOLA2P7A0.77
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.76
1744-CHLORO-BENZOIC ACIDX3DLP0.75
1744-CHLORO-BENZOIC ACIDX1T5D0.75
34Z3,4-dichlorobenzoateX2QVY0.75
34Z3,4-dichlorobenzoateX2QW00.75
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.75
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
PEL2-PHENYL-ETHANOLA,B1I0D0.75
PEL2-PHENYL-ETHANOLD,H2I0T0.75
PEL2-PHENYL-ETHANOLA,B1HZY0.75
PEL2-PHENYL-ETHANOLA,B1I0B0.75
PEL2-PHENYL-ETHANOLA1EYW0.75
PEL2-PHENYL-ETHANOLA,B1JGM0.75
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.74
OBZO-benzylhydroxylamineA,B3DTH0.74
OBZO-benzylhydroxylamineA,B3DTG0.74
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.73
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.73
3CH3-CHLOROPHENOLA1LI30.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.72
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.72
2CH2-CHLOROPHENOLA1WBO0.71
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.7