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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 | CHEMBL22367 |
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Molecular formula | C26H23N3O7S |
IUPAC name | 3-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)sulfonylamino]-2-oxoethyl]-1-methylindole-6-carboxamide |
Molecular weight | 521.544 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 2.7 |
Synonyms | BDBM50108191 N-(2-Methoxyphenylsulfonyl)-alpha-(1,3-benzodioxole-5-yl)-1-methyl-6-carbamoyl-1H-indole-3-acetamide 3-[1-Benzo[1,3]dioxol-5-yl-2-(2-methoxy-benzenesulfonylamino)-2-oxo-ethyl]-1-methyl-1H-indole-6-carboxylic acid amide |
Inchi Key | BOZMVLDNYMRJIR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H23N3O7S/c1-29-13-18(17-9-7-16(25(27)30)11-19(17)29)24(15-8-10-20-22(12-15)36-14-35-20)26(31)28-37(32,33)23-6-4-3-5-21(23)34-2/h3-13,24H,14H2,1-2H3,(H2,27,30)(H,28,31) |
PubChem CID | 44458650 |
ChEMBL | CHEMBL22367 |
IUPHAR | N/A |
BindingDB | 50108191 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 5.0 nM | PMID11755336 | BindingDB,ChEMBL |
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