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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02369179

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.91
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.81
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
NINDINITROPHENYLENEA1RSM0.75
NINDINITROPHENYLENEA1GVY0.75
NINDINITROPHENYLENEA1GW10.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.7
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
3NT3-NITROTOLUENEA,B2BMR0.83
3NT3-NITROTOLUENEA,B2HMO0.83
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.8
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.8
PNZP-NITRO-BENZYLAMINEA,B2C700.8