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Target
Thromboxane-A synthase
Ligand
BDBM50036363
Substrate
n/a
Meas. Tech.
ChEMBL_210278 (CHEMBL808525)
IC50
42±n/a nM
Citation
 Faull, AW; Brewster, AG; Brown, GR; Smithers, MJ; Jackson, R Dual-acting thromboxane receptor antagonist/synthase inhibitors: synthesis and biological properties of [2-substituted-4-(3-pyridyl)-1,3-dioxan-5-yl] alkenoic acids. J Med Chem 38:686-94 (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:
BDBM50036363
Synonyms:
(Z)-6-[2-(3,4-Dichloro-phenyl)-4-pyridin-3-yl-[1,3]dioxan-5-yl]-hex-4-enoic acid | CHEMBL422719
Type:
Small organic molecule
Emp. Form.:
C21H21Cl2NO4
Mol. Mass.:
422.302
SMILES:
OC(=O)CC\C=C/CC1COC(OC1c1cccnc1)c1ccc(Cl)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: