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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 | CHEMBL174094 |
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Molecular formula | C29H28N4O5S |
IUPAC name | 4-tert-butyl-N-[5-(2-methoxyphenoxy)-6-prop-2-ynoxy-2-pyridin-4-ylpyrimidin-4-yl]benzenesulfonamide |
Molecular weight | 544.626 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 5.2 |
Synonyms | BDBM50124479 4-tert-Butyl-N-[5-(2-methoxy-phenoxy)-6-prop-2-ynyloxy-2-pyridin-4-yl-pyrimidin-4-yl]-benzenesulfonamide |
Inchi Key | BUZZXSDSIRQVKH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H28N4O5S/c1-6-19-37-28-25(38-24-10-8-7-9-23(24)36-5)27(31-26(32-28)20-15-17-30-18-16-20)33-39(34,35)22-13-11-21(12-14-22)29(2,3)4/h1,7-18H,19H2,2-5H3,(H,31,32,33) |
PubChem CID | 44384852 |
ChEMBL | CHEMBL174094 |
IUPHAR | N/A |
BindingDB | 50124479 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 176.0 nM | PMID12617929 | BindingDB,ChEMBL |
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