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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00051823

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.84
3NT3-NITROTOLUENEA,B2HMO0.84
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.74
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
PRY2-PROPYL-ANILINEA1OWY0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.78
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.7
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
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