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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03187615

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.75
264(phenylamino)acetonitrileA2RBN0.82
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.7
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.74
34A3,4-DIMETHYLANILINEA1L4K0.77
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.74
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.76
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.74
271N-methyl-1-phenylmethanamineX2RBT0.76
665(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-
5-OXOPYRROLIDINE-3-CARBOXAMIDE
A2H7L0.7
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.7
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.72
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.72
1MRN-METHYLANILINEX2OTZ0.81
A8BA1ODC0.81