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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00057424

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.81
1AN2-FLUOROANILINEA1LGW0.77
NBENITROSOBENZENEA1LH70.76
NBENITROSOBENZENEA2LH70.76
NBENITROSOBENZENEA2NSS0.76
NIT4-NITROANILINEC,D1RMH0.87
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.87
NIT4-NITROANILINEB1VBS0.87
NIT4-NITROANILINEC1V9T0.87
NIT4-NITROANILINEC,D1VBT0.87
NIT4-NITROANILINEB1LOP0.87
NIT4-NITROANILINEC,D1ZKF0.87
NIT4-NITROANILINEB1PIP0.87
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
NINDINITROPHENYLENEA1RSM0.85
NINDINITROPHENYLENEA1GVY0.85
NINDINITROPHENYLENEA1GW10.85
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
5AN3,5-DIFLUOROANILINEA1LGX0.77
NBZNITROBENZENEA,B2BMQ0.81
NBZNITROBENZENEA,B3BGU0.81
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.8
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.71
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.77
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.76