Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThromboxane-A synthase
LigandBDBM50034762
Substrate/Competitorn/a
Meas. Tech.ChEMBL_210285 (CHEMBL808531)
IC50 10±n/a nM
Citation Ackerley, NBrewster, AGBrown, GRClarke, DSFoubister, AJGriffin, SJHudson, JASmithers, MJWhittamore, 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 Chem38:1608-28 (1995) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Thromboxane-A synthase
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:
MEALGFLKLEVNGPMVTVALSVALLALLKWYSTSAFSRLEKLGLRHPKPSPFIGNLTFFR
QGFWESQMELRKLYGPLCGYYLGRRMFIVISEPDMIKQVLVENFSNFTNRMASGLEFKSV
ADSVLFLRDKRWEEVRGALMSAFSPEKLNEMVPLISQACDLLLAHLKRYAESGDAFDIQR
CYCNYTTDVVASVAFGTPVDSWQAPEDPFVKHCKRFFEFCIPRPILVLLLSFPSIMVPLA
RILPNKNRDELNGFFNKLIRNVIALRDQQAAEERRRDFLQMVLDARHSASPMGVQDFDIV
RDVFSSTGCKPNPSRQHQPSPMARPLTVDEIVGQAFIFLIAGYEIITNTLSFATYLLATN
PDCQEKLLREVDVFKEKHMAPEFCSLEEGLPYLDMVIAETLRMYPPAFRFTREAAQDCEV
LGQRIPAGAVLEMAVGALHHDPEHWPSPETFNPERFTAEARQQHRPFTYLPFGAGPRSCL
GVRLGLLEVKLTLLHVLHKFRFQACPETQVPLQLESKSALGPKNGVYIKIVSR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50034762
n/a
NameBDBM50034762
Synonyms:(E)-7-(4-{6-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)-4-(2-hydroxy-phenyl)-[1,3]dioxan-2-yl]-6-methyl-heptyl}-phenyl)-7-pyridin-3-yl-hept-6-enoic acid | CHEMBL291167
TypeSmall organic molecule
Emp. Form.C42H53NO7
Mol. Mass.683.8727
SMILESCC(C)(CCCCCc1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1)[C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccccc1O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: