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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02542812

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.7
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.75
NIT4-NITROANILINEC,D1RMH0.76
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.76
NIT4-NITROANILINEB1VBS0.76
NIT4-NITROANILINEC1V9T0.76
NIT4-NITROANILINEC,D1VBT0.76
NIT4-NITROANILINEB1LOP0.76
NIT4-NITROANILINEC,D1ZKF0.76
NIT4-NITROANILINEB1PIP0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.77
34A3,4-DIMETHYLANILINEA1L4K0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
3NT3-NITROTOLUENEA,B2BMR0.86
3NT3-NITROTOLUENEA,B2HMO0.86
PRY2-PROPYL-ANILINEA1OWY0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.91
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.83
PNZP-NITRO-BENZYLAMINEA,B2C700.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.82
NBZNITROBENZENEA,B2BMQ0.78
NBZNITROBENZENEA,B3BGU0.78
NINDINITROPHENYLENEA1RSM0.82
NINDINITROPHENYLENEA1GVY0.82
NINDINITROPHENYLENEA1GW10.82
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74