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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02306100

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
I7B4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDEA2POV0.7
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.77
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.71
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.73
NBZNITROBENZENEA,B2BMQ0.74
NBZNITROBENZENEA,B3BGU0.74
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
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.72
NINDINITROPHENYLENEA1RSM0.79
NINDINITROPHENYLENEA1GVY0.79
NINDINITROPHENYLENEA1GW10.79
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.8
SANSULFANILAMIDEA1AJ00.79
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.76
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.76