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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 | CHEMBL395079 |
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Molecular formula | C18H21N3O6S |
IUPAC name | 1-tert-butyl-3-[2-(3-methylphenoxy)-5-nitrophenyl]sulfonylurea |
Molecular weight | 407.441 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | SCHEMBL17446913 BDBM50218130 N-tert-butyl-N''-[2-(3-methylphenoxy)-5-nitrobenzenesulfonyl]-urea |
Inchi Key | ALLZPGRYVWREKO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H21N3O6S/c1-12-6-5-7-14(10-12)27-15-9-8-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22) |
PubChem CID | 16757377 |
ChEMBL | CHEMBL395079 |
IUPHAR | N/A |
BindingDB | 50218130 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 17.0 nM | PMID17630727 | BindingDB,ChEMBL |
IC50 | 398.0 nM | PMID17630727 | BindingDB,ChEMBL |
Ratio IC50 | 23.2 - | PMID17630727 | ChEMBL |
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