You can:
Name | Endothelin-1 receptor |
---|---|
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 | CHEMBL10911 |
---|---|
Molecular formula | C25H20O5S |
IUPAC name | 3-(1,3-benzodioxol-5-yl)-4-benzyl-5-hydroxy-5-(4-methylsulfanylphenyl)furan-2-one |
Molecular weight | 432.49 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.6 |
Synonyms | 3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(4-methylsulfanyl-phenyl)-5H-furan-2-one BDBM50057151 SCHEMBL8033420 |
Inchi Key | BPTJMXBDLHQLJL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H20O5S/c1-31-19-10-8-18(9-11-19)25(27)20(13-16-5-3-2-4-6-16)23(24(26)30-25)17-7-12-21-22(14-17)29-15-28-21/h2-12,14,27H,13,15H2,1H3 |
PubChem CID | 10622616 |
ChEMBL | CHEMBL10911 |
IUPHAR | N/A |
BindingDB | 50057151 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 170.0 nM | PMID9089328 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218