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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02329499

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
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.74
NBZNITROBENZENEA,B2BMQ0.82
NBZNITROBENZENEA,B3BGU0.82
NBENITROSOBENZENEA1LH70.76
NBENITROSOBENZENEA2LH70.76
NBENITROSOBENZENEA2NSS0.76
SANSULFANILAMIDEA1AJ00.7
NINDINITROPHENYLENEA1RSM0.77
NINDINITROPHENYLENEA1GVY0.77
NINDINITROPHENYLENEA1GW10.77
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.92
PSGPARA-NITROPHENYL 1-THIO-BETA-D-
GLUCOPYRANOSIDE
A,B1E1F0.7
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.74
NIT4-NITROANILINEC,D1RMH0.77
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.77
NIT4-NITROANILINEB1VBS0.77
NIT4-NITROANILINEC1V9T0.77
NIT4-NITROANILINEC,D1VBT0.77
NIT4-NITROANILINEB1LOP0.77
NIT4-NITROANILINEC,D1ZKF0.77
NIT4-NITROANILINEB1PIP0.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.8
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71