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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00426086

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4FCA1YSG0.79
173BENZOYL-FORMIC ACIDA,B1SZE0.73
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.76
3BZ3-chlorobenzoateX2QVZ0.7
3BZ3-chlorobenzoateX2QVX0.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.77
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.81
12M(2-ETHYLPHENYL)METHANOLA,B2F620.8
2MP3,4-DIMETHYLPHENOLA1L5O0.7
1744-CHLORO-BENZOIC ACIDX3DLP0.7
1744-CHLORO-BENZOIC ACIDX1T5D0.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.75
3HB3-HYDROXYBENZOIC ACIDA2DKH0.75
26CA,B2F7I0.79
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.79
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.74
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.79
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.7
1666-CARBAMIMIDOYL-2-[2-HYDROXY-6-
(4-HYDROXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ10.71