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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 | CHEMBL432109 |
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Molecular formula | C17H15ClN2O5S2 |
IUPAC name | N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(4-methoxyphenyl)acetyl]thiophene-3-sulfonamide |
Molecular weight | 426.886 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | BDBM50058145 SCHEMBL4631556 2-[2-(4-Methoxy-phenyl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; compound with acetic acid ethyl ester CHEMBL1185771 |
Inchi Key | BRLOQACEPRWZNR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H15ClN2O5S2/c1-10-15(18)17(25-19-10)20-27(22,23)14-7-8-26-16(14)13(21)9-11-3-5-12(24-2)6-4-11/h3-8,20H,9H2,1-2H3 |
PubChem CID | 10502577 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50058145 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 43.0 nM | PMID9171878 | BindingDB |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218