Reaction Details Report a problem with these data
Target
Gamma-butyrobetaine dioxygenase
Ligand
BDBM43362
Substrate
n/a
Meas. Tech.
ChEMBL_1434106 (CHEMBL3382784)
IC50
14000±n/a nM
Citation
 Rydzik, AM; Brem, J; Struwe, WB; Kochan, GT; Benesch, JL; Schofield, CJ Ejection of structural zinc leads to inhibition of¿-butyrobetaine hydroxylase. Bioorg Med Chem Lett 24:4954-7 (2014) [PubMed]  Article 
Target
Name:
Gamma-butyrobetaine dioxygenase
Synonyms:
BBH | BBOX | BBOX1 | BODG_HUMAN | Gamma-BBH | Gamma-butyrobetaine hydroxylase | Gamma-butyrobetaine,2-oxoglutarate dioxygenase
Type:
PROTEIN
Mol. Mass.:
44715.93
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1434107
Residue:
387
Sequence:
MACTIQKAEALDGAHLMQILWYDEEESLYPAVWLRDNCPCSDCYLDSAKARKLLVEALDVNIGIKGLIFDRKKVYITWPDEHYSEFQADWLKKRCFSKQARAKLQRELFFPECQYWGSELQLPTLDFEDVLRYDEHAYKWLSTLKKVGIVRLTGASDKPGEVSKLGKRMGFLYLTFYGHTWQVQDKIDANNVAYTTGKLSFHTDYPALHHPPGVQLLHCIKQTVTGGDSEIVDGFNVCQKLKKNNPQAFQILSSTFVDFTDIGVDYCDFSVQSKHKIIELDDKGQVVRINFNNATRDTIFDVPVERVQPFYAALKEFVDLMNSKESKFTFKMNPGDVITFDNWRLLHGRRSYEAGTEISRHLEGAYADWDVVMSRLRILRQRVENGN
  
Inhibitor
Name:
BDBM43362
Synonyms:
MLS000069752 | N,N-dimethylcarbamodithioic acid (dimethylthiocarbamoylthio) ester | N,N-dimethylcarbamodithioic acid [[dimethylamino(sulfanylidene)methyl]thio] ester | SMR000059023 | TETRAMETHYLTHIURAM DISULFIDE | cid_5455 | dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate
Type:
Small organic molecule
Emp. Form.:
C6H12N2S4
Mol. Mass.:
240.433
SMILES:
CN(C)C(=S)SSC(=S)N(C)C
Structure:
Search PDB for entries with ligand similarity: