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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010734

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.77
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.79
SANSULFANILAMIDEA1AJ00.76
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.79
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
NIT4-NITROANILINEC,D1RMH0.74
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.74
NIT4-NITROANILINEB1VBS0.74
NIT4-NITROANILINEC1V9T0.74
NIT4-NITROANILINEC,D1VBT0.74
NIT4-NITROANILINEB1LOP0.74
NIT4-NITROANILINEC,D1ZKF0.74
NIT4-NITROANILINEB1PIP0.74
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.76
NINDINITROPHENYLENEA1RSM0.82
NINDINITROPHENYLENEA1GVY0.82
NINDINITROPHENYLENEA1GW10.82