Reaction Details Report a problem with these data
Target
Cystathionine beta-synthase
Ligand
BDBM50550146
Substrate
n/a
Meas. Tech.
ChEMBL_2026807 (CHEMBL4680965)
Kd
94000±n/a nM
Citation
 Brunner, K; Maric, S; Reshma, RS; Almqvist, H; Seashore-Ludlow, B; Gustavsson, AL; Poyraz, Ö; Yogeeswari, P; Lundbäck, T; Vallin, M; Sriram, D; Schnell, R; Schneider, G Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. J Med Chem 59:6848-59 (2016) [PubMed]  Article 
Target
Name:
Cystathionine beta-synthase
Synonyms:
Beta-thionase | CBS | CBS_HUMAN | Serine sulfhydrase
Type:
PROTEIN
Mol. Mass.:
60586.85
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109567
Residue:
551
Sequence:
MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK
  
Inhibitor
Name:
BDBM50550146
Synonyms:
CHEMBL4757665
Type:
Small organic molecule
Emp. Form.:
C14H10Cl2N2O3
Mol. Mass.:
325.147
SMILES:
OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
Structure:
Search PDB for entries with ligand similarity: