BDBM50222944 CHEMBL399664::macrolactin O

SMILES: C[C@@H]1CCC\C=C\CCC(=O)C[C@@H](O)C\C=C/C=C/[C@H](C\C=C\C=C/C(=O)O1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=WPGAONUYAGVAII-PMZILUDRSA-N

Data: 1 IC50

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 = 50222944   

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
Peptide Deformylase (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50222944 (CHEMBL399664 | macrolactin O) Show SMILES C[C@@H]1CCC\C=C\CCC(=O)C[C@@H](O)C\C=C/C=C/[C@H](C\C=C\C=C/C(=O)O1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |c:15,23,t:5,17,21| Show InChI InChI=1S/C30H44O10/c1-21-13-7-3-2-4-8-14-22(32)19-23(33)15-9-5-10-16-24(17-11-6-12-18-26(34)38-21)39-30-29(37)28(36)27(35)25(20-31)40-30/h2,4-6,9-12,16,18,21,23-25,27-31,33,35-37H,3,7-8,13-15,17,19-20H2,1H3/b4-2+,9-5-,11-6+,16-10+,18-12-/t21-,23+,24-,25+,27+,28-,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus peptide deformylase				J Nat Prod 70: 1632-5 (2007) Article DOI: 10.1021/np0701327 BindingDB Entry DOI: 10.7270/Q2K07406
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