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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00553228

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.74
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.71
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.76
341(3,5-difluorophenyl)methanolC3EON0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.74
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
4MA4-METHYLBENZOIC ACIDA,H2HRG0.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
7912-PHENYLMALONIC ACIDA1O4P0.71
B08A,B2E990.71
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.77
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.76
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78