Reaction Details Report a problem with these data
Target
Thromboxane-A synthase
Ligand
BDBM50368036
Substrate
n/a
Meas. Tech.
ChEBML_210101
IC50
1400±n/a nM
Citation
 Archibald, JL; Bradley, G; Opalko, A; Ward, TJ; White, JC; Ennis, C; Shepperson, NB Design of an antithrombotic-antihypertensive agent (Wy 27569). Synthesis and evaluation of a series of 2-heteroaryl-substituted dihydropyridines. J Med Chem 33:646-52 (1990) [PubMed]  Article 
Target
Name:
Thromboxane-A synthase
Synonyms:
CYP5 | CYP5A1 | Cytochrome P450 5A1 | P450 TxA2 | TBXAS1 | THAS_HUMAN | TXA synthase | TXAS | TXS | Thromboxane A2 Synthase | Thromboxane A2 Synthase (P450 TxA2) | Thromboxane Alpha | Thromboxane prostanoid | Thromboxane synthase | Thromboxane-A synthase
Type:
Enzyme
Mol. Mass.:
60524.67
Organism:
Homo sapiens (Human)
Description:
P24557
Residue:
533
Sequence:
MEALGFLKLEVNGPMVTVALSVALLALLKWYSTSAFSRLEKLGLRHPKPSPFIGNLTFFRQGFWESQMELRKLYGPLCGYYLGRRMFIVISEPDMIKQVLVENFSNFTNRMASGLEFKSVADSVLFLRDKRWEEVRGALMSAFSPEKLNEMVPLISQACDLLLAHLKRYAESGDAFDIQRCYCNYTTDVVASVAFGTPVDSWQAPEDPFVKHCKRFFEFCIPRPILVLLLSFPSIMVPLARILPNKNRDELNGFFNKLIRNVIALRDQQAAEERRRDFLQMVLDARHSASPMGVQDFDIVRDVFSSTGCKPNPSRQHQPSPMARPLTVDEIVGQAFIFLIAGYEIITNTLSFATYLLATNPDCQEKLLREVDVFKEKHMAPEFCSLEEGLPYLDMVIAETLRMYPPAFRFTREAAQDCEVLGQRIPAGAVLEMAVGALHHDPEHWPSPETFNPERFTAEARQQHRPFTYLPFGAGPRSCLGVRLGLLEVKLTLLHVLHKFRFQACPETQVPLQLESKSALGPKNGVYIKIVSR
  
Inhibitor
Name:
BDBM50368036
Synonyms:
CHEMBL1203682
Type:
Small organic molecule
Emp. Form.:
C22H24N4O6
Mol. Mass.:
440.4492
SMILES:
CCOC(=O)C1C(C(C(=O)OCC)=C(Cn2ccnc2)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21,t:12|
Structure:
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