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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02486450

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.71
SS11-PHENYLETHANOLH1UM50.75
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.74
M08(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-
2-ene-8,9,10-triol
A2QRH0.79
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.73
ECOESTRADIOL-6 CARBOXYL-METHYL-OXIMEB,D,F,H1JNH0.7
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.7
MNN(S)-MANDELIC ACID NITRILEA1YB60.74
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.7
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.76
M07(5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-
3-(4-METHOXYPHENYL)-1,6-DIOXA-2-
AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL
A2QRG0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.75
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.75
SS2(1R)-1-PHENYLETHANOLA1ZJY0.75
PEL2-PHENYL-ETHANOLA,B1I0D0.7
PEL2-PHENYL-ETHANOLD,H2I0T0.7
PEL2-PHENYL-ETHANOLA,B1HZY0.7
PEL2-PHENYL-ETHANOLA,B1I0B0.7
PEL2-PHENYL-ETHANOLA1EYW0.7
PEL2-PHENYL-ETHANOLA,B1JGM0.7