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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023835

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NINDINITROPHENYLENEA1RSM0.86
NINDINITROPHENYLENEA1GVY0.86
NINDINITROPHENYLENEA1GW10.86
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.7
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.8
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.72
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.72
3NT3-NITROTOLUENEA,B2BMR0.82
3NT3-NITROTOLUENEA,B2HMO0.82
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.79
NBZNITROBENZENEA,B2BMQ0.92
NBZNITROBENZENEA,B3BGU0.92
TNL2,4,6-TRINITROTOLUENEA1GVR0.78
NBENITROSOBENZENEA1LH70.86
NBENITROSOBENZENEA2LH70.86
NBENITROSOBENZENEA2NSS0.86
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
5AN3,5-DIFLUOROANILINEA1LGX0.82
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.9
NIT4-NITROANILINEC,D1RMH0.86
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.86
NIT4-NITROANILINEB1VBS0.86
NIT4-NITROANILINEC1V9T0.86
NIT4-NITROANILINEC,D1VBT0.86
NIT4-NITROANILINEB1LOP0.86
NIT4-NITROANILINEC,D1ZKF0.86
NIT4-NITROANILINEB1PIP0.86
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
1AN2-FLUOROANILINEA1LGW0.8