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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00271497

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
L10N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-
DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-
(4-CHLOROPHENYL)UREA
A1W820.72
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.78
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.78
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.78
1MRN-METHYLANILINEX2OTZ0.75
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.7
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.78
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
NYLN-ALLYL-ANILINEA1OVK0.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.75
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
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.71
PL01-phenylguanidineA2O8W0.87
264(phenylamino)acetonitrileA2RBN0.75
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.77
V152-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-
4(3H)-ONE
A2V000.72
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
ZMG(5R)-2-[(2-fluorophenyl)amino]-
5-(1-methylethyl)-1,3-thiazol-4(5H)-
one
A,B,C,D2RBE0.72
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.71
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.76
BSU1,3-DIPHENYLUREAA3E850.86
BSU1,3-DIPHENYLUREAA2ZJF0.86
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.71
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.7
URSN-PHENYLTHIOUREAA,B1BUG0.8