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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02341190

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.78
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.77
173BENZOYL-FORMIC ACIDA,B1SZE0.75
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.77
4HP4-HYDROXYPHENYLACETATEA2YYJ0.77
4HP4-HYDROXYPHENYLACETATEA2YYM0.77
4HP4-HYDROXYPHENYLACETATEB1AI60.77
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.77
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.81
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
7912-PHENYLMALONIC ACIDA1O4P0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.9
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.9
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.9
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.9
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
4FCA1YSG0.78
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.75
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.7
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.85
26CA,B2F7I0.77