Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 522.5 BDBM50448421

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50448421 (CHEMBL3121947) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(s1)[N+]([O-])=O)c2C(N)=O Show InChI InChI=1S/C20H18N4O7S3/c1-31-11-2-4-12(5-3-11)34(29,30)23-9-8-13-15(10-23)33-20(17(13)18(21)25)22-19(26)14-6-7-16(32-14)24(27)28/h2-7H,8-10H2,1H3,(H2,21,25)(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 22: 1938-47 (2014) Article DOI: 10.1016/j.bmc.2014.01.030 BindingDB Entry DOI: 10.7270/Q2222W9G
					More data for this Ligand-Target Pair