| Reaction Details |
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 | Report a problem with these data |
| Target | Long-chain-fatty-acid--AMP ligase FadD32 |
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| Ligand | BDBM50565056 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2089998 (CHEMBL4771261) |
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| Ki | 110±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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| Long-chain-fatty-acid--AMP ligase FadD32 |
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| Name: | Long-chain-fatty-acid--AMP ligase FadD32 |
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| Synonyms: | 6.2.1.20 | Acyl-AMP synthetase | FAA32_MYCTU | FAAL | FAAL32 | Long-chain-fatty-acid--AMP ligase FadD32 | fadD32 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 69227.11 |
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| Organism: | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
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| Description: | ChEMBL_117910 |
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| Residue: | 637 |
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| Sequence: | MFVTGESGMAYHNPFIVNGKIRFPANTNLVRHVEKWAKVRGDKLAYRFLDFSTERDGVAR
DILWSDFSARNRAVGARLQQVTQPGDRVAILCPQNLDYLISFFGALYSGRIAVPLFDPAE
PGHVGRLHAVLDDCAPSTILTTTDSAEGVRKFIRARSAKERPRVIAVDAVPTEVAATWQQ
PEANEETVAYLQYTSGSTRIPSGVQITHLNLPTNVVQVLNALEGQEGDRGVSWLPFFHDM
GLITVLLASVLGHSFTFMTPAAFVRRPGRWIRELARKPGETGGTFSAAPNFAFEHAAVRG
VPRDDEPPLDLSNVKGILNGSEPVSPASMRKFFEAFAPYGLKQTAVKPSYGLAEATLFVS
TTPMDEVPTVIHVDRDELNNQRFVEVAADAPNAVAQVSAGKVGVSEWAVIVDADTASELP
DGQIGEIWLHGNNLGTGYWGKEEESAQTFKNILKSRISESRAEGAPDDALWVRTGDYGTY
FKDHLYIAGRIKDLVIIDGRNHYPQDLECTAQESTKALRVGYAAAFSVPANQLPQTVFDD
SHAGLKFDPEDTSEQLVIVGERAAGTHKLDHQPIVDDIRAAIAVGHGVTVRDVLLVSAGT
IPRTSSGKIGRRACRAAYLDGSLRSGVGSPTVFATSD
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| BDBM50565056 |
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| n/a |
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| Name | BDBM50565056 |
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| Synonyms: | CHEMBL4783416 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H38N5O7P |
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| Mol. Mass. | 515.5402 |
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| SMILES | CCCCCCCCCCCCOP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| |
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| Structure | 
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