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Target
Cystathionine beta-synthase
Ligand
BDBM50064264
Substrate
n/a
Meas. Tech.
ChEMBL_1464805 (CHEMBL3404160)
IC50
87000±n/a nM
Citation
 Thorson, MK; Van Wagoner, RM; Harper, MK; Ireland, CM; Majtan, T; Kraus, JP; Barrios, AM Marine natural products as inhibitors of cystathionine beta-synthase activity. Bioorg Med Chem Lett 25:1064-6 (2015) [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:
BDBM50064264
Synonyms:
CHEMBL3403662
Type:
Small organic molecule
Emp. Form.:
C13H14N2O3S
Mol. Mass.:
278.327
SMILES:
COc1cc(\C=C2/N=C(SC)N(C)C2=O)ccc1O |t:7|
Structure:
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