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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 | CHEMBL149050 |
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Molecular formula | C20H22N2O5S2 |
IUPAC name | N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)benzenesulfonamide |
Molecular weight | 434.525 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | 4''-(Propane-2-sulfonyl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide BDBM50068733 |
Inchi Key | BACQXHYPRKBLQD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H22N2O5S2/c1-13(2)28(23,24)17-11-9-16(10-12-17)18-7-5-6-8-19(18)29(25,26)22-20-14(3)15(4)21-27-20/h5-13,22H,1-4H3 |
PubChem CID | 10598958 |
ChEMBL | CHEMBL149050 |
IUPHAR | N/A |
BindingDB | 50068733 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kb app | 16.0 uM | PMID9857090 | ChEMBL |
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