Reaction Details Report a problem with these data
Target
Thromboxane-A synthase
Ligand
BDBM50072780
Substrate
n/a
Meas. Tech.
ChEMBL_210434 (CHEMBL814386)
IC50
28.7±n/a nM
Citation
 Takeuchi, K; Kohn, TJ; True, TA; Mais, DE; Wikel, JH; Utterback, BG; Wyss, VL; Jakubowski, JA Development of dual-acting agents for thromboxane receptor antagonism and thromboxane synthase inhibition. 3. Synthesis and biological activities of oxazolecarboxamide-substituted omega-phenyl-omega-(3-pyridyl)alkenoic acid derivatives and related compounds. J Med Chem 41:5362-74 (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:
BDBM50072780
Synonyms:
(E)-7-(4-{4-[3-(4-Methoxy-cyclohexyl)-propylcarbamoyl]-oxazol-2-yl}-phenyl)-7-pyridin-3-yl-hept-6-enoic acid | CHEMBL357723
Type:
Small organic molecule
Emp. Form.:
C32H39N3O5
Mol. Mass.:
545.6692
SMILES:
COC1CCC(CCCNC(=O)c2coc(n2)-c2ccc(cc2)C(=C/CCCCC(O)=O)\c2cccnc2)CC1 |(16.69,-6.53,;15.35,-5.78,;14.02,-6.55,;14.12,-8.09,;12.85,-8.96,;11.47,-8.28,;10.21,-9.14,;8.82,-8.46,;7.55,-9.33,;6.15,-8.67,;4.87,-9.54,;4.96,-11.08,;3.71,-8.53,;2.17,-8.61,;1.62,-7.18,;2.8,-6.2,;4.1,-7.04,;2.72,-4.66,;4,-3.81,;3.91,-2.27,;2.53,-1.59,;1.25,-2.44,;1.34,-3.98,;2.44,-.05,;3.72,.81,;5.1,.13,;6.39,1,;7.76,.3,;9.04,1.17,;10.42,.48,;10.51,-1.05,;11.7,1.35,;1.07,.63,;-.21,-.22,;-1.6,.46,;-1.7,2,;-.41,2.85,;.97,2.17,;11.34,-6.75,;12.62,-5.89,)|
Structure:
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