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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02158363

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
3NT3-NITROTOLUENEA,B2BMR0.85
3NT3-NITROTOLUENEA,B2HMO0.85
NINDINITROPHENYLENEA1RSM0.77
NINDINITROPHENYLENEA1GVY0.77
NINDINITROPHENYLENEA1GW10.77
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.77
NBZNITROBENZENEA,B2BMQ0.79
NBZNITROBENZENEA,B3BGU0.79
PRY2-PROPYL-ANILINEA1OWY0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.82
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
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.72
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.81
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.88
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.82
PNZP-NITRO-BENZYLAMINEA,B2C700.82
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74