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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 | CHEMBL277167 |
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Molecular formula | C23H28N2O7S |
IUPAC name | (Z)-6-[(2S,4S,5R)-2-[2-(4-methyl-2-nitrophenoxy)propan-2-yl]-4-(1,3-thiazol-5-yl)-1,3-dioxan-5-yl]hex-4-enoic acid |
Molecular weight | 476.544 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | BDBM50280074 (Z)-6-{(2S,4S,5R)-2-[1-Methyl-1-(4-methyl-2-nitro-phenoxy)-ethyl]-4-thiazol-5-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid |
Inchi Key | AEMOPCLSCUUOFI-IVWCHCLBSA-N |
Inchi ID | InChI=1S/C23H28N2O7S/c1-15-9-10-18(17(11-15)25(28)29)32-23(2,3)22-30-13-16(7-5-4-6-8-20(26)27)21(31-22)19-12-24-14-33-19/h4-5,9-12,14,16,21-22H,6-8,13H2,1-3H3,(H,26,27)/b5-4-/t16-,21+,22+/m1/s1 |
PubChem CID | 9869582 |
ChEMBL | CHEMBL277167 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kd | 5.012 nM | Bioorg. Med. Chem. Lett., (1992) 2:10:1181 | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218