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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024592

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.85
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.77
URSN-PHENYLTHIOUREAA,B1BUG0.84
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
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
BSU1,3-DIPHENYLUREAA3E850.74
BSU1,3-DIPHENYLUREAA2ZJF0.74
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.7
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.71
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.73
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.7
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73
1MRN-METHYLANILINEX2OTZ0.71