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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01439672

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CPUA,B1CR60.75
529(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-
3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-
1-YL)PHENYL]PROPANAMIDE
A,C,D2BPM0.72
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.7
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.72
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.79
BSU1,3-DIPHENYLUREAA3E850.83
BSU1,3-DIPHENYLUREAA2ZJF0.83
1MRN-METHYLANILINEX2OTZ0.75
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.86
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.86
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.76
264(phenylamino)acetonitrileA2RBN0.75
CVICRYSTAL VIOLETA,B,D,E1JTX0.72
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.71
BL5A,B1RL40.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.8
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.71
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.72
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71