Reaction Details Report a problem with these data
Target
Malate synthase G [C619A]
Ligand
BDBM50083953
Substrate
n/a
Meas. Tech.
DNTB-Coupled_Enzyme_Assay
IC50
800±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:
BDBM50083953
Synonyms:
(Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid | 4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid | 4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid (0.35H2O) | CHEMBL22197 | Sacchettini_7
Type:
Small organic molecule
Emp. Form.:
C10H7BrO4
Mol. Mass.:
271.064
SMILES:
OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Structure:
Search PDB for entries with ligand similarity: