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Name | Endothelin-1 receptor |
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Species | Homo sapiens (Human) |
Gene | EDNRA |
Synonym | ET-A ETA-R hET-AR ETA receptor ENDOR [ Show all ] |
Disease | Vasospasm following subarachnoid hemorrhage Hormone refractory prostate cancer Hormone resistant prostate cancer Hypertension Hypotension [ Show all ] |
Length | 427 |
Amino acid sequence | METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN |
UniProt | P25101 |
Protein Data Bank | N/A |
GPCR-HGmod model | P25101 |
3D structure model | This predicted structure model is from GPCR-EXP P25101. |
BioLiP | N/A |
Therapeutic Target Database | T23499 |
ChEMBL | CHEMBL252 |
IUPHAR | 219 |
DrugBank | BE0000521 |
Name | CHEMBL2165332 |
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Molecular formula | C24H23BrN6O4S |
IUPAC name | N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-amine |
Molecular weight | 571.45 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | BDBM50395633 |
Inchi Key | BIHSQJMJRJBBHK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H23BrN6O4S/c1-17-7-9-19(10-8-17)21-22(31-36(32,33)30-13-18-5-3-2-4-6-18)28-16-29-23(21)34-11-12-35-24-26-14-20(25)15-27-24/h2-10,14-16,30H,11-13H2,1H3,(H,28,29,31) |
PubChem CID | 71462320 |
ChEMBL | CHEMBL2165332 |
IUPHAR | N/A |
BindingDB | 50395633 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.7 nM | PMID22862294 | BindingDB,ChEMBL |
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