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Target
Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase
Ligand
BDBM50565087
Substrate
n/a
Meas. Tech.
ChEMBL_2090004 (CHEMBL4771267)
Ki
>100000±n/a nM
Citation
 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC Development of small-molecule inhibitors of fatty acyl-AMP and fatty acyl-CoA ligases in Mycobacterium tuberculosis. Eur J Med Chem 201:0 (2020) [PubMed]  Article 
Target
Name:
Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase
Synonyms:
6.2.1.2 | 6.2.1.3 | 6.2.1.42 | Acyl-CoA synthetase | FAC19_MYCTU | FACL | FACL19 | Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase | Steroid-CoA ligase | Steroid-coenzyme A ligase | fadD19
Type:
PROTEIN
Mol. Mass.:
59730.73
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_101100
Residue:
548
Sequence:
MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG
  
Inhibitor
Name:
BDBM50565087
Synonyms:
CHEMBL4796346
Type:
Small organic molecule
Emp. Form.:
C27H37FN6O8S
Mol. Mass.:
624.681
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2F)[C@@H](O)[C@H]1O |r|
Structure:
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