Reaction Details Report a problem with these data
Target
Bifunctional coenzyme A synthase
Ligand
BDBM50365463
Substrate
n/a
Meas. Tech.
ChEMBL_2563818
IC50
10000±n/a nM
Citation
 Dawson, MA; Prinjha, RK; Dittmann, A; Giotopoulos, G; Bantscheff, M; Chan, WI; Robson, SC; Chung, CW; Hopf, C; Savitski, MM; Huthmacher, C; Gudgin, E; Lugo, D; Beinke, S; Chapman, TD; Roberts, EJ; Soden, PE; Auger, KR; Mirguet, O; Doehner, K; Delwel, R; Burnett, AK; Jeffrey, P; Drewes, G; Lee, K; Huntly, BJ; Kouzarides, T Inhibition of BET recruitment to chromatin as an effective treatment for MLL-fusion leukaemia. Nature 478:529-33[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:
BDBM50365463
Synonyms:
CHEMBL1232461
Type:
Small organic molecule
Emp. Form.:
C22H22ClN5O2
Mol. Mass.:
n/a
SMILES:
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
Structure:
Search PDB for entries with ligand similarity: