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Target
Long-chain-fatty-acid--AMP ligase FadD32
Ligand
BDBM50063753
Substrate
n/a
Meas. Tech.
ChEMBL_2197334 (CHEMBL5109850)
IC50
7700±n/a nM
Citation
 Le, NH; Constant, P; Tranier, S; Nahoum, V; Guillet, V; Maveyraud, L; Daffé, M; Mourey, L; Verhaeghe, P; Marrakchi, H Drug screening approach against mycobacterial fatty acyl-AMP ligase FAAL32 renews the interest of the salicylanilide pharmacophore in the fight against tuberculosis. Bioorg Med Chem 71:0 (2022) [PubMed] 
Target
Name:
Long-chain-fatty-acid--AMP ligase FadD32
Synonyms:
6.2.1.20 | Acyl-AMP synthetase | FAA32_MYCTU | FAAL | FAAL32 | Long-chain-fatty-acid--AMP ligase FadD32 | fadD32
Type:
PROTEIN
Mol. Mass.:
69227.11
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_117910
Residue:
637
Sequence:
MFVTGESGMAYHNPFIVNGKIRFPANTNLVRHVEKWAKVRGDKLAYRFLDFSTERDGVARDILWSDFSARNRAVGARLQQVTQPGDRVAILCPQNLDYLISFFGALYSGRIAVPLFDPAEPGHVGRLHAVLDDCAPSTILTTTDSAEGVRKFIRARSAKERPRVIAVDAVPTEVAATWQQPEANEETVAYLQYTSGSTRIPSGVQITHLNLPTNVVQVLNALEGQEGDRGVSWLPFFHDMGLITVLLASVLGHSFTFMTPAAFVRRPGRWIRELARKPGETGGTFSAAPNFAFEHAAVRGVPRDDEPPLDLSNVKGILNGSEPVSPASMRKFFEAFAPYGLKQTAVKPSYGLAEATLFVSTTPMDEVPTVIHVDRDELNNQRFVEVAADAPNAVAQVSAGKVGVSEWAVIVDADTASELPDGQIGEIWLHGNNLGTGYWGKEEESAQTFKNILKSRISESRAEGAPDDALWVRTGDYGTYFKDHLYIAGRIKDLVIIDGRNHYPQDLECTAQESTKALRVGYAAAFSVPANQLPQTVFDDSHAGLKFDPEDTSEQLVIVGERAAGTHKLDHQPIVDDIRAAIAVGHGVTVRDVLLVSAGTIPRTSSGKIGRRACRAAYLDGSLRSGVGSPTVFATSD
  
Inhibitor
Name:
BDBM50063753
Synonyms:
CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)-2-hydroxy-3,5-diiodobenzamide | N-{5-Chloro-4-[(4-chloro-phenyl)-cyano-methyl]-2-methyl-phenyl}-2-hydroxy-3,5-diiodo-benzamide | cid_42574
Type:
Small organic molecule
Emp. Form.:
C22H14Cl2I2N2O2
Mol. Mass.:
663.074
SMILES:
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
Structure:
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