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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00091722

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.75
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.72
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
1AN2-FLUOROANILINEA1LGW0.72
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.74
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
BSU1,3-DIPHENYLUREAA3E850.81
BSU1,3-DIPHENYLUREAA2ZJF0.81
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.74
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.74
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.74
NYLN-ALLYL-ANILINEA1OVK0.75
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
264(phenylamino)acetonitrileA2RBN0.74
ZMG(5R)-2-[(2-fluorophenyl)amino]-
5-(1-methylethyl)-1,3-thiazol-4(5H)-
one
A,B,C,D2RBE0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.72
5AN3,5-DIFLUOROANILINEA1LGX0.71
PL01-phenylguanidineA2O8W0.86
URSN-PHENYLTHIOUREAA,B1BUG0.8
1MRN-METHYLANILINEX2OTZ0.76