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Target
Bifunctional coenzyme A synthase
Ligand
BDBM50263238
Substrate
n/a
Meas. Tech.
ChEBML_1697741
IC50
11000±n/a nM
Citation
 Moreau, RJ; Skepper, CK; Appleton, BA; Blechschmidt, A; Balibar, CJ; Benton, BM; Drumm, JE; Feng, BY; Geng, M; Li, C; Lindvall, MK; Lingel, A; Lu, Y; Mamo, M; Mergo, W; Polyakov, V; Smith, TM; Takeoka, K; Uehara, K; Wang, L; Wei, JR; Weiss, AH; Xie, L; Xu, W; Zhang, Q; de Vicente, J Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J Med Chem 61:3309-3324 (2018) [PubMed]  Article 
Target
Name:
Bifunctional coenzyme A synthase
Synonyms:
2.7.1.24 | 2.7.7.3 | Bifunctional coenzyme A synthase | COASY | COASY_HUMAN | CoA synthase | DPCK | DPCOAK | Dephospho-CoA kinase | Dephospho-CoA pyrophosphorylase | Dephosphocoenzyme A kinase | NBP | POV-2 | PPAT | Pantetheine-phosphate adenylyltransferase | Phosphopantetheine adenylyltransferase
Type:
PROTEIN
Mol. Mass.:
62332.60
Organism:
Homo sapiens
Description:
ChEMBL_117472
Residue:
564
Sequence:
MAVFRSGLLVLTTPLASLAPRLASILTSAARLVNHTLYVHLQPGMSLEGPAQPQSSPVQATFEVLDFITHLYAGADVHRHLDVRILLTNIRTKSTFLPPLPTSVQNLAHPPEVVLTDFQTLDGSQYNPVKQQLVRYATSCYSCCPRLASVLLYSDYGIGEVPVEPLDVPLPSTIRPASPVAGSPKQPVRGYYRGAVGGTFDRLHNAHKVLLSVACILAQEQLVVGVADKDLLKSKLLPELLQPYTERVEHLSEFLVDIKPSLTFDVIPLLDPYGPAGSDPSLEFLVVSEETYRGGMAINRFRLENDLEELALYQIQLLKDLRHTENEEDKVSSSSFRQRMLGNLLRPPYERPELPTCLYVIGLTGISGSGKSSIAQRLKGLGAFVIDSDHLGHRAYAPGGPAYQPVVEAFGTDILHKDGIINRKVLGSRVFGNKKQLKILTDIMWPIIAKLAREEMDRAVAEGKRVCVIDAAVLLEAGWQNLVHEVWTAVIPETEAVRRIVERDGLSEAAAQSRLQSQMSGQQLVEQSHVVLSTLWEPHITQRQVEKAWALLQKRIPKTHQALD
  
Inhibitor
Name:
BDBM50263238
Synonyms:
CHEMBL4102651
Type:
Small organic molecule
Emp. Form.:
C15H14ClN3O
Mol. Mass.:
287.744
SMILES:
C[C@@H](Nc1nc2c(O)cccc2[nH]1)c1cccc(Cl)c1 |r|
Structure:
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