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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 | CI 1020 |
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Molecular formula | C28H26O9 |
IUPAC name | 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one |
Molecular weight | 506.507 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | PD 156707 3-benzo[1,3] dioxol-5-yl-5-hydroxy-5-(4-methoxyphenyl)-4-(3,4,5-trimethoxy-benzyl)-5H-furan-2-one SCHEMBL4178950 162256-50-0 3-benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxyphenyl)-4-(3,4,5-trimethoxy-benzyl)-5H-furan-2-one [ Show all ] |
Inchi Key | PWIPORDFWDZCJG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3 |
PubChem CID | 9870830 |
ChEMBL | CHEMBL8981 |
IUPHAR | N/A |
BindingDB | 50034267 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.3 nM | PMID9089328, PMID10377221, PMID7731010 | BindingDB,ChEMBL |
IC50 | 0.3 nM | PMID9089328 | BindingDB |
IC50 | 0.37 nM | N/A | BindingDB |
IC50 | 0.37 nM | Bioorg. Med. Chem. Lett., (1997) 7:3:297 | ChEMBL |
IC50 | 1.1 nM | PMID9089328 | BindingDB,ChEMBL |
KB | 7.5 - | PMID10377221 | ChEMBL |
Kb | 1900000000.0 nM | PMID9089328 | ChEMBL |
Kd | 25.0 nM | PMID9089328 | BindingDB |
Kd | 25.12 nM | PMID9089328 | ChEMBL |
Ki | 0.15 nM | PMID9023329 | BindingDB |
Ki | 0.17 nM | PMID8676339 | BindingDB,ChEMBL |
Ki | 0.5 nM | PMID9023329 | BindingDB |
Ki | 0.92 nM | PMID9023329 | BindingDB |
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