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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02875072

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.78
26CA,B2F7I0.76
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.75
4MA4-METHYLBENZOIC ACIDA,H2HRG0.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.7
4FCA1YSG0.77
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.76
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.77
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.74
7912-PHENYLMALONIC ACIDA1O4P0.81
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.8
173BENZOYL-FORMIC ACIDA,B1SZE0.81
12M(2-ETHYLPHENYL)METHANOLA,B2F620.7
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71