Reaction Details Report a problem with these data
Target
Bifunctional ligase/repressor BirA
Ligand
BDBM50514425
Substrate
n/a
Meas. Tech.
ChEMBL_1856580 (CHEMBL4357309)
Ki
1400±n/a nM
Citation
 Bosc, D; Camberlein, V; Gealageas, R; Castillo-Aguilera, O; Deprez, B; Deprez-Poulain, R Kinetic Target-Guided Synthesis: Reaching the Age of Maturity. J Med Chem 63:3817-3833 (2020) [PubMed]  Article 
Target
Name:
Bifunctional ligase/repressor BirA
Synonyms:
6.3.4.15 | B9Z04_07515 | B9Z08_12810 | Bifunctional ligase/repressor BirA | Biotin--[acetyl-CoA-carboxylase] ligase | Biotin--protein ligase | Biotin-[acetyl-CoA carboxylase] synthetase | EP54_02390 | EQ90_10155 | ERS072738_01407 | HMPREF3211_02638 | NCTC10654_01507 | NCTC10702_02322 | NCTC11940_01392 | NCTC13131_02034 | NCTC13196_02594 | NCTC13812_01497 | NCTC9944_01478 | birA
Type:
PROTEIN
Mol. Mass.:
37084.00
Organism:
Staphylococcus aureus
Description:
ChEMBL_109990
Residue:
323
Sequence:
MSKYSQDVLQLLYKNKPNYISGQSIAESLNISRTAVKKVIDQLKLEGCKIDSVNHKGHLLQQLPDIWYQGIIDQYTKSSALFDFSEVYDSIDSTQLAAKKSLVGNQSSFFILSDEQTKGRGRFNRHWSSSKGQGLWMSVVLRPNVAFSMISKFNLFIALGIRDAIQHFSQDEVKVKWPNDIYIDNGKVCGFLTEMVANNDGIEAIICGIGINLTQQLENFDESIRHRATSIQLHDKNKLDRYQFLEILLQEIEKRYNQFLTLPFSEIREEYTAASNIWNRTLLFTENDKQFKGQAIDLDYDGYLIVRDEAGESHRLISADIDF
  
Inhibitor
Name:
BDBM50514425
Synonyms:
CHEMBL4462026
Type:
Small organic molecule
Emp. Form.:
C20H25N9O4S
Mol. Mass.:
487.535
SMILES:
[H][C@]12CS[C@@H](CCCCc3cn(CCCNc4ccc([N+]([O-])=O)c5nonc45)nn3)[C@@]1([H])NC(=O)N2 |r|
Structure:
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