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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 | CHEMBL104848 |
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Molecular formula | C20H17N3O4S |
IUPAC name | N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-4-yl)phenyl]benzenesulfonamide |
Molecular weight | 395.433 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | 4''-Oxazol-4-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide BDBM50091101 SCHEMBL6641232 4'-(Oxazole-4-yl)-N-(3,4-dimethyl-5-isoxazolyl)biphenyl-2-sulfonamide |
Inchi Key | BQEPLLPCPMRGBT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-20(13)23-28(24,25)19-6-4-3-5-17(19)15-7-9-16(10-8-15)18-11-26-12-21-18/h3-12,23H,1-2H3 |
PubChem CID | 11794992 |
ChEMBL | CHEMBL104848 |
IUPHAR | N/A |
BindingDB | 50091101 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 0.5 nM | PMID10956219 | BindingDB,ChEMBL |
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