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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02659942

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
1AN2-FLUOROANILINEA1LGW0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.78
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
MPX4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDEA1ZH90.74
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.74
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
BSU1,3-DIPHENYLUREAA3E850.79
BSU1,3-DIPHENYLUREAA2ZJF0.79
PL01-phenylguanidineA2O8W0.81
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
1MRN-METHYLANILINEX2OTZ0.82
OSPSULTHIAMEA2Q1Q0.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
NYLN-ALLYL-ANILINEA1OVK0.84
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.75
264(phenylamino)acetonitrileA2RBN0.84
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.72
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
URSN-PHENYLTHIOUREAA,B1BUG0.9
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72