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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02635199

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.72
SS11-PHENYLETHANOLH1UM50.77
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.7
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.78
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.74
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.77
341(3,5-difluorophenyl)methanolC3EON0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.73
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.81
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.74
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.77
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.77
SS2(1R)-1-PHENYLETHANOLA1ZJY0.77
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
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
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.71