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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00458875

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AN3,5-DIFLUOROANILINEA1LGX0.73
NBENITROSOBENZENEA1LH70.76
NBENITROSOBENZENEA2LH70.76
NBENITROSOBENZENEA2NSS0.76
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
PRY2-PROPYL-ANILINEA1OWY0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
1AN2-FLUOROANILINEA1LGW0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
34A3,4-DIMETHYLANILINEA1L4K0.71
PHZ1-PHENYLHYDRAZINEA2E2T0.8
PHZ1-PHENYLHYDRAZINED,H2AGL0.8
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7
1MRN-METHYLANILINEX2OTZ0.71