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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00525922

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
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.91
NINDINITROPHENYLENEA1RSM0.77
NINDINITROPHENYLENEA1GVY0.77
NINDINITROPHENYLENEA1GW10.77
NBZNITROBENZENEA,B2BMQ0.79
NBZNITROBENZENEA,B3BGU0.79
SANSULFANILAMIDEA1AJ00.75
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.71
PSGPARA-NITROPHENYL 1-THIO-BETA-D-
GLUCOPYRANOSIDE
A,B1E1F0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.8
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.79
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74
NIT4-NITROANILINEC,D1RMH0.75
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.75
NIT4-NITROANILINEB1VBS0.75
NIT4-NITROANILINEC1V9T0.75
NIT4-NITROANILINEC,D1VBT0.75
NIT4-NITROANILINEB1LOP0.75
NIT4-NITROANILINEC,D1ZKF0.75
NIT4-NITROANILINEB1PIP0.75
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.76