Reaction Details Report a problem with these data
Target
Malate synthase G [C619A]
Ligand
BDBM50115579
Substrate
n/a
Meas. Tech.
DNTB-Coupled_Enzyme_Assay
IC50
2000±n/a nM
Citation
 D3R, DD Sacchettini GlcB D3R 223:0 (2015) [PubMed] 
Target
Name:
Malate synthase G [C619A]
Synonyms:
MASZ_MYCTO | glcB
Type:
n/a
Mol. Mass.:
80350.85
Organism:
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Description:
P9WK16[C619A]
Residue:
741
Sequence:
MTDRVSVGNLRIARVLYDFVNNEALPGTDIDPDSFWAGVDKVVADLTPQNQALLNARDELQAQIDKWHRRRVIEPIDMDAYRQFLTEIGYLLPEPDDFTITTSGVDAEITTTAGPQLVVPVLNARFALNAANARWGSLYDALYGTDVIPETDGAEKGPTYNKVRGDKVIAYARKFLDDSVPLSSGSFGDATGFTVQDGQLVVALPDKSTGLANPGQFAGYTGAAESPTSVLLINHGLHIEILIDPESQVGTTDRAGVKDVILESAITTIMDFEDSVAAVDAADKVLGYRNWLGLNKGDLAAAVDKDGTAFLRVLNRDRNYTAPGGGQFTLPGRSLMFVRNVGHLMTNDAIVDTDGSEVFEGIMDALFTGLIAIHGLKASDVNGPLINSRTGSIYIVKPKMHGPAEVAFTCELFSRVEDVLGLPQNTMKIGIMDEERRTTVNLKACIKAAADRVVFINTGFLDRTGDEIHTSMEAGPMVRKGTMKSQPWILAYEDHNVDAGLAAGFSGRAQVGKGMWTMTELMADMVETKIAQPRAGASTAWVPSPTAATLHALHYHQVDVAAVQQGLAGKRRATIEQLLTIPLAKELAWAPDEIREEVDNNCQSILGYVVRWVDQGVGASKVPDIHDVALMEDRATLRISSQLLANWLRHGVITSADVRASLERMAPLVDRQNAGDVAYRPMAPNFDDSIAFLAAQELILSGAQQPNGYTEPILHRRRREFKARAAEKPAPSDRAGDDAAR
  
Inhibitor
Name:
BDBM50115579
Synonyms:
(Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-Hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-Hydroxy-4-oxo-4-phenyl-but-2-enoic acid (0.25H2O) | CHEMBL16326 | CHEMBL19332 | CHEMBL467389 | Sacchettini_CTRL
Type:
Small organic molecule
Emp. Form.:
C10H8O4
Mol. Mass.:
192.1681
SMILES:
OC(=O)C(=O)CC(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: