Target
3-oxoacyl-[acyl-carrier-protein] synthase 1
Ligand
BDBM50180106
Substrate
n/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 Chem 49:159-71 (2006) [PubMed]  Article 
Target
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:
MKRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWGNVKLDTTGLIDRKVVRFMSDASIYAFLSMEQAIADAGLSPEAYQNNPRVGLIAGSGGGSPRFQVFGADAMRGPRGLKAVGPYVVTKAMASGVSACLATPFKIHGVNYSISSACATSAHCIGNAVEQIQLGKQDIVFAGGGEELCWEMACEFDAMGALSTKYNDTPEKASRTYDAHRDGFVIAGGGGMVVVEELEHALARGAHIYAEIVGYGATSDGADMVAPSGEGAVRCMKMAMHGVDTPIDYLNSHGTSTPVGDVKELAAIREVFGDKSPAISATKAMTGHSLGAAGVQEAIYSLLMLEHGFIAPSINIEELDEQAAGLNIVTETTDRELTTVMSNSFGFGGTNATLVMRKLKD
  
Inhibitor
Name:
BDBM50180106
Synonyms:
5-(2,6-dichlorobenzyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one | CHEMBL199977
Type:
Small organic molecule
Emp. Form.:
C13H12Cl2O2S
Mol. Mass.:
303.204
SMILES:
CC1C(=O)SC(C)(Cc2c(Cl)cccc2Cl)C1=O
Structure:
Search PDB for entries with ligand similarity: