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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00768735

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.75
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.74
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.74
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.7
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.73
NINDINITROPHENYLENEA1RSM0.71
NINDINITROPHENYLENEA1GVY0.71
NINDINITROPHENYLENEA1GW10.71
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.71
NYLN-ALLYL-ANILINEA1OVK0.75
PL01-phenylguanidineA2O8W0.75
NIT4-NITROANILINEC,D1RMH0.78
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.78
NIT4-NITROANILINEB1VBS0.78
NIT4-NITROANILINEC1V9T0.78
NIT4-NITROANILINEC,D1VBT0.78
NIT4-NITROANILINEB1LOP0.78
NIT4-NITROANILINEC,D1ZKF0.78
NIT4-NITROANILINEB1PIP0.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.7
264(phenylamino)acetonitrileA2RBN0.74
NBZNITROBENZENEA,B2BMQ0.73
NBZNITROBENZENEA,B3BGU0.73
URSN-PHENYLTHIOUREAA,B1BUG0.83
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.81
BSU1,3-DIPHENYLUREAA3E850.77
BSU1,3-DIPHENYLUREAA2ZJF0.77
1MRN-METHYLANILINEX2OTZ0.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71