BDBM50045357 CHEBI:48928::CHEMBL1230513

SMILES: O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O

InChI Key: InChIKey=BIRSGZKFKXLSJQ-SQOUGZDYSA-N

Data: 2 Kd

PDB links: 16 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 2 hits for monomerid = 50045357   

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
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM50045357 (CHEBI:48928 | CHEMBL1230513) Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O |r| Show InChI InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description log Kd which is the binding affinity against 6-phosphogluconate dehydrogenase				J Med Chem 45: 2770-80 (2002) Article DOI: 10.1021/jm0105833 BindingDB Entry DOI: 10.7270/Q2MG7S8S
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphogluconolactonase (Trypanosoma brucei)	BDBM50045357 (CHEBI:48928 | CHEMBL1230513) Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O |r| Show InChI InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research and Development, LLC Curated by ChEMBL					Assay Description Binding affinity to Trypanosoma brucei 6-phospho-gluconalactonase by NMR analysis				J Med Chem 57: 7819-37 (2014) Article DOI: 10.1021/jm500325k BindingDB Entry DOI: 10.7270/Q2JW8GH3
					More data for this Ligand-Target Pair				3D Structure (crystal)