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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00758012

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.73
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.7
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.74
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.7
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.72
BSU1,3-DIPHENYLUREAA3E850.79
BSU1,3-DIPHENYLUREAA2ZJF0.79
URSN-PHENYLTHIOUREAA,B1BUG0.73
PL01-phenylguanidineA2O8W0.81
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.75
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.75
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.73
ZMG(5R)-2-[(2-fluorophenyl)amino]-
5-(1-methylethyl)-1,3-thiazol-4(5H)-
one
A,B,C,D2RBE0.72
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.7
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
V152-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-
4(3H)-ONE
A2V000.75