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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003831

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NYLN-ALLYL-ANILINEA1OVK0.8
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.7
1AN2-FLUOROANILINEA1LGW0.72
264(phenylamino)acetonitrileA2RBN0.8
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.7
IET1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-
PHENYL)-1-IMINO-ETHYL]-THIOUREA
A1S6P0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.76
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.74
5AN3,5-DIFLUOROANILINEA1LGX0.7
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
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
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.75
URSN-PHENYLTHIOUREAA,B1BUG0.94
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
1MRN-METHYLANILINEX2OTZ0.8
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.81
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.81
PL01-phenylguanidineA2O8W0.85
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7
BSU1,3-DIPHENYLUREAA3E850.91
BSU1,3-DIPHENYLUREAA2ZJF0.91