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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02357715

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NINDINITROPHENYLENEA1RSM0.93
NINDINITROPHENYLENEA1GVY0.93
NINDINITROPHENYLENEA1GW10.93
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.87
NBZNITROBENZENEA,B2BMQ0.86
NBZNITROBENZENEA,B3BGU0.86
NIT4-NITROANILINEC,D1RMH0.84
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.84
NIT4-NITROANILINEB1VBS0.84
NIT4-NITROANILINEC1V9T0.84
NIT4-NITROANILINEC,D1VBT0.84
NIT4-NITROANILINEB1LOP0.84
NIT4-NITROANILINEC,D1ZKF0.84
NIT4-NITROANILINEB1PIP0.84
TNL2,4,6-TRINITROTOLUENEA1GVR0.81
NBENITROSOBENZENEA1LH70.8
NBENITROSOBENZENEA2LH70.8
NBENITROSOBENZENEA2NSS0.8
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.77
5AN3,5-DIFLUOROANILINEA1LGX0.75
1AN2-FLUOROANILINEA1LGW0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71