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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03806067

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANQACENAPHTHENEQUINONEH,J1OAX0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.85
3BZ3-chlorobenzoateX2QVZ0.7
3BZ3-chlorobenzoateX2QVX0.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
1744-CHLORO-BENZOIC ACIDX3DLP0.7
1744-CHLORO-BENZOIC ACIDX1T5D0.7
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.74
4MA4-METHYLBENZOIC ACIDA,H2HRG0.76
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.74
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.79
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.77
7912-PHENYLMALONIC ACIDA1O4P0.85
26CA,B2F7I0.73
AC01-PHENYLETHANONEA1ZK10.79
AC01-PHENYLETHANONEA1ZK40.79
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.7
5PV5-PHENYLVALERIC ACIDA,B2AY90.8
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
4FCA1YSG0.73
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.73