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Name | Thromboxane A2 receptor |
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Species | Homo sapiens (Human) |
Gene | TBXA2R |
Synonym | TP receptor TXA2-R prostanoid TP receptor |
Disease | Diabetic neuropathy Cardiovascular disorder Erectile dysfunction Perennial allergic rhinitis Peripheral vascular disease [ Show all ] |
Length | 343 |
Amino acid sequence | MWPNGSSLGPCFRPTNITLEERRLIASPWFAASFCVVGLASNLLALSVLAGARQGGSHTRSSFLTFLCGLVLTDFLGLLVTGTIVVSQHAALFEWHAVDPGCRLCRFMGVVMIFFGLSPLLLGAAMASERYLGITRPFSRPAVASQRRAWATVGLVWAAALALGLLPLLGVGRYTVQYPGSWCFLTLGAESGDVAFGLLFSMLGGLSVGLSFLLNTVSVATLCHVYHGQEAAQQRPRDSEVEMMAQLLGIMVVASVCWLPLLVFIAQTVLRNPPAMSPAGQLSRTTEKELLIYLRVATWNQILDPWVYILFRRAVLRRLQPRLSTRPRSLSLQPQLTQRSGLQ |
UniProt | P21731 |
Protein Data Bank | 6iiv, 6iiu |
GPCR-HGmod model | P21731 |
3D structure model | This structure is from PDB ID 6iiv. |
BioLiP | BL0436518, BL0436517, BL0436516, BL0436515, BL0436514, BL0436513 |
Therapeutic Target Database | T76198 |
ChEMBL | CHEMBL2069 |
IUPHAR | 346 |
DrugBank | BE0000759 |
Name | CHEMBL302005 |
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Molecular formula | C20H21NO3 |
IUPAC name | 2-[(11E)-11-[2-(dimethylamino)ethylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid |
Molecular weight | 323.392 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 1.0 |
Synonyms | 6,11-Dihydro-11-[2-(dimethylamino)ethylidene]dibenz[b,e]oxepin-2-acetic acid BDBM50002088 [11-(2-Dimethylamino-ethylidene)-6,11-dihydro-dibenzo[b,e]oxepin-2-yl]-acetic acid 6,11-Dihydro-11-[(E)-2-dimethylaminoethylidene]dibenz[b,e]oxepin-2-acetic acid |
Inchi Key | BMMSDSQQAGDCHS-RQZCQDPDSA-N |
Inchi ID | InChI=1S/C20H21NO3/c1-21(2)10-9-17-16-6-4-3-5-15(16)13-24-19-8-7-14(11-18(17)19)12-20(22)23/h3-9,11H,10,12-13H2,1-2H3,(H,22,23)/b17-9+ |
PubChem CID | 15749427 |
ChEMBL | CHEMBL302005 |
IUPHAR | N/A |
BindingDB | 50002088 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | <1000.0 nM | PMID16220969, PMID22931505 | BindingDB,ChEMBL |
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