Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target3-oxoacyl-[acyl-carrier-protein] synthase 1
LigandBDBM50180115
Substrate/Competitorn/a
Meas. Tech.ChEMBL_330089 (CHEMBL863311)
IC50>1000000±n/a nM
Citation Kim, PZhang, YMShenoy, GNguyen, QABoshoff, HIManjunatha, UHGoodwin, MBLonsdale, JPrice, ACMiller, DJDuncan, KWhite, SWRock, COBarry, CEDowd, CS Structure-activity relationships at the 5-position of thiolactomycin: an intact (5R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli. J Med Chem49:159-71 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
3-oxoacyl-[acyl-carrier-protein] synthase 1
Name:3-oxoacyl-[acyl-carrier-protein] synthase 1
Synonyms:FABB_ECOLI | fabB | fabC
Type:PROTEIN
Mol. Mass.:42605.82
Organism:Escherichia coli (strain K12)
Description:ChEMBL_330089
Residue:406
Sequence:
MKRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWGNVKLDTTGLI
DRKVVRFMSDASIYAFLSMEQAIADAGLSPEAYQNNPRVGLIAGSGGGSPRFQVFGADAM
RGPRGLKAVGPYVVTKAMASGVSACLATPFKIHGVNYSISSACATSAHCIGNAVEQIQLG
KQDIVFAGGGEELCWEMACEFDAMGALSTKYNDTPEKASRTYDAHRDGFVIAGGGGMVVV
EELEHALARGAHIYAEIVGYGATSDGADMVAPSGEGAVRCMKMAMHGVDTPIDYLNSHGT
STPVGDVKELAAIREVFGDKSPAISATKAMTGHSLGAAGVQEAIYSLLMLEHGFIAPSIN
IEELDEQAAGLNIVTETTDRELTTVMSNSFGFGGTNATLVMRKLKD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50180115
n/a
NameBDBM50180115
Synonyms:3,5-dimethyl-4-hydroxy-5-(4-nitrobenzyl)-5H-thiophen-2-one | CHEMBL203154
TypeSmall organic molecule
Emp. Form.C13H13NO4S
Mol. Mass.279.312
SMILESCC1C(=O)SC(C)(Cc2ccc(cc2)[N+]([O-])=O)C1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: