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TargetThromboxane-A synthase
LigandBDBM50075630
Substrate/Competitorn/a
Meas. Tech.ChEMBL_209930 (CHEMBL813721)
IC50 3±n/a nM
Citation Soyka, RGuth, BDWeisenberger, HMLuger, PMüller, TH Guanidine derivatives as combined thromboxane A2 receptor antagonists and synthase inhibitors. J Med Chem42:1235-49 (1999) [PubMed]  Article
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:
BDBM50075630
n/a
NameBDBM50075630
Synonyms:6-{3-[1-(1-adamantylamino)-2-cyano-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid | CHEMBL21852
TypeSmall organic molecule
Emp. Form.C29H33N5O2
Mol. Mass.483.6046
SMILESOC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC23CC4CC(CC(C4)C2)C3)=NC#N)c1 |w:32.36,6.5,TLB:29:28:31:24.23.25,29:24:31:28.30.27,25:26:30:24.23.29,THB:25:24:30:26.31.27|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: