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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00828194

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
URSN-PHENYLTHIOUREAA,B1BUG0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.7
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.7
SIIN-(4-{[4-(cyclohexylamino)-1-(3-
fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-
3-en-8-yl]methyl}phenyl)acetamide
A3FKT0.71
PL01-phenylguanidineA2O8W0.76
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.75
MPX4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDEA1ZH90.72
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
BSU1,3-DIPHENYLUREAA3E850.78
BSU1,3-DIPHENYLUREAA2ZJF0.78
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.7
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.8
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.8
NYLN-ALLYL-ANILINEA1OVK0.72
264(phenylamino)acetonitrileA2RBN0.72