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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009203

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
PHZ1-PHENYLHYDRAZINEA2E2T0.7
PHZ1-PHENYLHYDRAZINED,H2AGL0.7
1MRN-METHYLANILINEX2OTZ0.85
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.74
C1M1-(4-CHLOROPHENYL)-2,3-DIHYDRO-
1H-TETRAZOLE
B,I2C900.74
264(phenylamino)acetonitrileA2RBN0.87
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.75
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.75
1AN2-FLUOROANILINEA1LGW0.73
URSN-PHENYLTHIOUREAA,B1BUG0.79
NYLN-ALLYL-ANILINEA1OVK0.85
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.74
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.74
ZMG(5R)-2-[(2-fluorophenyl)amino]-
5-(1-methylethyl)-1,3-thiazol-4(5H)-
one
A,B,C,D2RBE0.7
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.71
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.74
CLU2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINEA,B,D,E2PNC0.71
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
5AN3,5-DIFLUOROANILINEA1LGX0.71
PL01-phenylguanidineA2O8W0.86
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.75
BSU1,3-DIPHENYLUREAA3E850.77
BSU1,3-DIPHENYLUREAA2ZJF0.77
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71