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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 | CHEMBL173189 |
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Molecular formula | C18H19BrN2O3S2 |
IUPAC name | N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-[2-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide |
Molecular weight | 455.385 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.3 |
Synonyms | BDBM50291496 SCHEMBL6151279 3-[2-(2,4-Dimethyl-phenyl)-ethyl]-thiophene-2-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide |
Inchi Key | BSUROEYVKLONPL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H19BrN2O3S2/c1-11-4-5-14(12(2)10-11)6-7-15-8-9-25-18(15)26(22,23)21-17-16(19)13(3)20-24-17/h4-5,8-10,21H,6-7H2,1-3H3 |
PubChem CID | 23445421 |
ChEMBL | CHEMBL173189 |
IUPHAR | N/A |
BindingDB | 50291496 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 102.0 nM | , Bioorg. Med. Chem. Lett., (1997) 7:7:939 | BindingDB,ChEMBL |
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