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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00722138

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MPX4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDEA1ZH90.75
URSN-PHENYLTHIOUREAA,B1BUG0.86
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.73
NYLN-ALLYL-ANILINEA1OVK0.81
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1INE0.72
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1IND0.72
264(phenylamino)acetonitrileA2RBN0.81
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.7
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.77
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.73
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.7
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
BSU1,3-DIPHENYLUREAA3E850.78
BSU1,3-DIPHENYLUREAA2ZJF0.78
1MRN-METHYLANILINEX2OTZ0.79
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.8
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.8
PL01-phenylguanidineA2O8W0.78