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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 | CHEMBL288967 |
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Molecular formula | C18H15BrF3N3O7S2 |
IUPAC name | 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid |
Molecular weight | 586.351 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 3 |
XlogP | None |
Synonyms | N/A |
Inchi Key | BTAFWGRLTJPHAZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H14BrN3O5S2.C2HF3O2/c1-9-13(17)16(25-19-9)20-27(22,23)12-6-7-26-14(12)15(21)18-10-4-3-5-11(8-10)24-2;3-2(4,5)1(6)7/h3-8,20H,1-2H3,(H,18,21);(H,6,7) |
PubChem CID | 44291725 |
ChEMBL | CHEMBL288967 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 85.0 nM | PMID9171877 | ChEMBL |
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