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Target
Bifunctional coenzyme A synthase
Ligand
BDBM50652793
Substrate
n/a
Meas. Tech.
ChEMBL_2514325
Kd
7170±n/a nM
Citation
 Tröster, A; Heinzlmeir, S; Berger, BT; Gande, SL; Saxena, K; Sreeramulu, S; Linhard, V; Nasiri, AH; Bolte, M; Müller, S; Kuster, B; Médard, G; Kudlinzki, D; Schwalbe, H NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem 13:1629-1633[PubMed] 
Target
Name:
Bifunctional coenzyme A synthase
Synonyms:
2.7.1.24 | 2.7.7.3 | Bifunctional coenzyme A synthase | CoA synthase | DPCK | DPCOAK | Dephospho-CoA kinase | Dephospho-CoA pyrophosphorylase | Dephosphocoenzyme A kinase | NBP | POV-2 | PPAT | Pantetheine-phosphate adenylyltransferase | Phosphopantetheine adenylyltransferase | COASY_HUMAN | COASY
Type:
PROTEIN
Mol. Mass.:
62332.60
Organism:
Human
Description:
ChEMBL_117472
Residue:
564
Sequence:
MAVFRSGLLVLTTPLASLAPRLASILTSAARLVNHTLYVHLQPGMSLEGPAQPQSSPVQATFEVLDFITHLYAGADVHRHLDVRILLTNIRTKSTFLPPLPTSVQNLAHPPEVVLTDFQTLDGSQYNPVKQQLVRYATSCYSCCPRLASVLLYSDYGIGEVPVEPLDVPLPSTIRPASPVAGSPKQPVRGYYRGAVGGTFDRLHNAHKVLLSVACILAQEQLVVGVADKDLLKSKLLPELLQPYTERVEHLSEFLVDIKPSLTFDVIPLLDPYGPAGSDPSLEFLVVSEETYRGGMAINRFRLENDLEELALYQIQLLKDLRHTENEEDKVSSSSFRQRMLGNLLRPPYERPELPTCLYVIGLTGISGSGKSSIAQRLKGLGAFVIDSDHLGHRAYAPGGPAYQPVVEAFGTDILHKDGIINRKVLGSRVFGNKKQLKILTDIMWPIIAKLAREEMDRAVAEGKRVCVIDAAVLLEAGWQNLVHEVWTAVIPETEAVRRIVERDGLSEAAAQSRLQSQMSGQQLVEQSHVVLSTLWEPHITQRQVEKAWALLQKRIPKTHQALD
  
Inhibitor
Name:
BDBM50652793
Synonyms:
CHEMBL5653589
Type:
Small organic molecule
Emp. Form.:
C26H20F3N7O
Mol. Mass.:
503.49
SMILES:
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Structure:
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