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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00053156

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNL2,4,6-TRINITROTOLUENEA1GVR0.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.74
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.7
NINDINITROPHENYLENEA1RSM0.71
NINDINITROPHENYLENEA1GVY0.71
NINDINITROPHENYLENEA1GW10.71
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
3NT3-NITROTOLUENEA,B2BMR0.8
3NT3-NITROTOLUENEA,B2HMO0.8
D3F2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-
1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE
A2GZ70.7