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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02165634

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.84
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.7
264(phenylamino)acetonitrileA2RBN0.83
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
PL01-phenylguanidineA2O8W0.8
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
BSU1,3-DIPHENYLUREAA3E850.81
BSU1,3-DIPHENYLUREAA2ZJF0.81
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.7
1AN2-FLUOROANILINEA1LGW0.74
5AN3,5-DIFLUOROANILINEA1LGX0.72
URSN-PHENYLTHIOUREAA,B1BUG0.89
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
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.72
NYLN-ALLYL-ANILINEA1OVK0.84
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.75
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.81
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.81
MPX4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDEA1ZH90.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72