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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022302

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.75
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.75
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
NINDINITROPHENYLENEA1RSM0.77
NINDINITROPHENYLENEA1GVY0.77
NINDINITROPHENYLENEA1GW10.77
PRY2-PROPYL-ANILINEA1OWY0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.82
NBZNITROBENZENEA,B2BMQ0.81
NBZNITROBENZENEA,B3BGU0.81
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
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
1AN2-FLUOROANILINEA1LGW0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.81
PNZP-NITRO-BENZYLAMINEA,B2C700.81
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.81
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.79
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
3NT3-NITROTOLUENEA,B2BMR0.87
3NT3-NITROTOLUENEA,B2HMO0.87