BDBM50443772 CHEMBL1230597

SMILES: Nc1ccn([C@@H]2O[C@H](CNC(=O)c3ccncc3)[C@@H](O)[C@H]2O)c(=O)n1

InChI Key: InChIKey=XQXWUTWGJVGDNS-XIDUGBJDSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches 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 = 50443772   

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))	BDBM50443772 (CHEMBL1230597) Show SMILES Nc1ccn([C@@H]2O[C@H](CNC(=O)c3ccncc3)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C15H17N5O5/c16-10-3-6-20(15(24)19-10)14-12(22)11(21)9(25-14)7-18-13(23)8-1-4-17-5-2-8/h1-6,9,11-12,14,21-22H,7H2,(H,18,23)(H2,16,19,24)/t9-,11-,12-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.80E+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)