| Reaction Details |
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 | Report a problem with these data |
| Target | Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase |
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| Ligand | BDBM50565096 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2090004 (CHEMBL4771267) |
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| Ki | >100000±n/a nM |
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| 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 Chem201:0 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase |
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| Name: | Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase |
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| 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 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 59730.73 |
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| Organism: | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
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| Description: | ChEMBL_101100 |
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| Residue: | 548 |
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| Sequence: | MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGL
YCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVL
PDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGF
PKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSAT
WMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLF
LLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHR
TVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVE
EDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQA
RPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVH
AGHVTSGG
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| BDBM50565096 |
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| n/a |
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| Name | BDBM50565096 |
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| Synonyms: | CHEMBL4783091 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H40N6O9S |
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| Mol. Mass. | 636.717 |
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| SMILES | COc1cccc(OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c1 |r| |
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| Structure | 
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