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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00620255

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.7
1AN2-FLUOROANILINEA1LGW0.72
NYLN-ALLYL-ANILINEA1OVK0.82
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
PL01-phenylguanidineA2O8W0.79
264(phenylamino)acetonitrileA2RBN0.81
BSU1,3-DIPHENYLUREAA3E850.79
BSU1,3-DIPHENYLUREAA2ZJF0.79
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.7
1MRN-METHYLANILINEX2OTZ0.82
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.79
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.79
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.73
URSN-PHENYLTHIOUREAA,B1BUG0.87
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.71
5AN3,5-DIFLUOROANILINEA1LGX0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72