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Target
Thromboxane-A synthase
Ligand
BDBM50075630
Substrate
n/a
Meas. Tech.
ChEMBL_209930 (CHEMBL813721)
IC50
3±n/a nM
Citation
 Soyka, R; Guth, BD; Weisenberger, HM; Luger, P; Müller, TH Guanidine derivatives as combined thromboxane A2 receptor antagonists and synthase inhibitors. J Med Chem 42:1235-49 (1999) [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:
BDBM50075630
Synonyms:
6-{3-[1-(1-adamantylamino)-2-cyano-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid | CHEMBL21852
Type:
Small organic molecule
Emp. Form.:
C29H33N5O2
Mol. Mass.:
483.6046
SMILES:
OC(=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:
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