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Target
Bifunctional ligase/repressor BirA
Ligand
BDBM161470
Substrate
n/a
Meas. Tech.
ChEMBL_1775691 (CHEMBL4232683)
Ki
660±n/a nM
Citation
 Unver, MY; Gierse, RM; Ritchie, H; Hirsch, AKH Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis. J Med Chem 61:9395-9409 (2018) [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:
BDBM161470
Synonyms:
US9108978, 4.01
Type:
Small organic molecule
Emp. Form.:
C21H30N10OS
Mol. Mass.:
470.594
SMILES:
Nc1ncnc2n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cnc12 |r|
Structure:
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