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Name | Endothelin-1 receptor |
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Species | Sus scrofa (Pig) |
Gene | EDNRA |
Synonym | Endothelin receptor type A {ECO:0000250|UniProtKB:P25101} ET-A ET-AR |
Disease | N/A for non-human GPCRs |
Length | 427 |
Amino acid sequence | METFCFRVSFWVALLGCVISDNPESHSTNLSTHVDDFTTFRGTEFSLVVTTHRPTNLALPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFENHDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEEHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHEQNNHNTERSSHKDSIN |
UniProt | Q29010 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4130 |
IUPHAR | N/A |
DrugBank | N/A |
Name | Bosentan |
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Molecular formula | C27H29N5O6S |
IUPAC name | 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide |
Molecular weight | 551.618 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 2 |
XlogP | 3.8 |
Synonyms | MCULE-3074160312 PDSP2_001714 4-tert butyl-N-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)pyrimidin-6-yl]benzenesulphonamide Ro-470203029 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide [ Show all ] |
Inchi Key | GJPICJJJRGTNOD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) |
PubChem CID | 104865 |
ChEMBL | CHEMBL957 |
IUPHAR | 3494 |
BindingDB | 50061101 |
DrugBank | DB00559 |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 7.5 nM | PMID11738578 | BindingDB,ChEMBL |
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