BDBM50443773 CHEMBL1230528

SMILES: OCc1cn2ccsc2n1

InChI Key: InChIKey=GBUTVPCKMACQMG-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443773   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243))	BDBM50443773 (CHEMBL1230528) Show SMILES OCc1cn2ccsc2n1 Show InChI InChI=1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-3,9H,4H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	n/a
Northern Illinois University Curated by ChEMBL					Assay Description Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method				Bioorg Med Chem Lett 23: 6860-3 (2013) Article DOI: 10.1016/j.bmcl.2013.09.101 BindingDB Entry DOI: 10.7270/Q2NC62NX
					More data for this Ligand-Target Pair				3D Structure (crystal)