Reaction Details Report a problem with these data
Target
Thromboxane-A synthase
Ligand
BDBM50034765
Substrate
n/a
Meas. Tech.
ChEMBL_210285 (CHEMBL808531)
IC50
1700±n/a nM
Citation
 Ackerley, N; Brewster, AG; Brown, GR; Clarke, DS; Foubister, AJ; Griffin, SJ; Hudson, JA; Smithers, MJ; Whittamore, PR A novel approach to dual-acting thromboxane receptor antagonist/synthase inhibitors based on the link of 1,3-dioxane-thromboxane receptor antagonists and -thromboxane synthase inhibitors. J Med Chem 38:1608-28 (1995) [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:
BDBM50034765
Synonyms:
3-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(2-hydroxy-phenyl)-[1,3]dioxan-2-ylmethoxy]-4-(2-imidazol-1-yl-ethoxy)-benzoic acid | CHEMBL288118
Type:
Small organic molecule
Emp. Form.:
C29H32N2O9
Mol. Mass.:
552.5724
SMILES:
OC(=O)CC\C=C/C[C@@H]1CO[C@H](COc2cc(ccc2OCCn2ccnc2)C(O)=O)O[C@@H]1c1ccccc1O
Structure:
Search PDB for entries with ligand similarity: