Reaction Details Report a problem with these data
Target
Thromboxane-A synthase
Ligand
BDBM50002751
Substrate
n/a
Meas. Tech.
ChEMBL_209767 (CHEMBL815557)
IC50
4400±n/a nM
Citation
 Ohshima, E; Takami, H; Sato, H; Obase, H; Miki, I; Ishii, A; Karasawa, A; Kubo, K Non-prostanoid thromboxane A2 receptor antagonists with a dibenzoxepin ring system. 1. J Med Chem 35:3394-402 (1992) [PubMed]  Article 
Target
Name:
Thromboxane-A synthase
Synonyms:
Cyp5 | Cyp5a1 | Cytochrome P450 5A1 | THAS_RAT | TXA synthase | TXS | Tbxas1
Type:
PROTEIN
Mol. Mass.:
59971.80
Organism:
Rattus norvegicus
Description:
ChEMBL_209768
Residue:
533
Sequence:
MEVLGLLKFEVSGTVVTVTLSVVLLALLKWYSTSAFSRLRKLGIRHPEPSPFVGNLMFFRQGFWESHLELRERYGPLCGYYLGRRMYIVISDPDMIKEVLVENFSNFSNRMASGLEPKLIADSVLMLRDRRWEEVRGALMSAFSPEKLNEMTPLISQACELLLSHLKHSAASGDAFDIQRCYCCFTTNVVASVAFGIEVNSQDAPEDPFVQHCQRVFAFSTPRPLLALILSFPSIMVPLARILPNKNRDELNGFFNTLIRNVIALRDKQTAEERRGDFLQMVLDAQRSMSSVGVEAFDMVTEALSSAECMGDPPQRCHPTSTAKPLTVDEIAGQAFLFLIAGHEITTNTLSFITYLLATHPECQERLLKEVDLFMEKHPAPEYCNLQEGLPYLDMVVAETLRMYPPAFRFTREAAQDCEVLGQHIPAGSVLEIAVGALHHDPEHWPNPETFDPERFTAEARLQQKPFTYLPFGAGPRSCLGVRLGLLVVKLTLLQVLHKFRFEACPETQVPLQLESKSALCPKNGVYVKIVSR
  
Inhibitor
Name:
BDBM50002751
Synonyms:
11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid | CHEMBL324364
Type:
Small organic molecule
Emp. Form.:
C25H23NO5S2
Mol. Mass.:
481.584
SMILES:
OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1
Structure:
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