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Name | Endothelin-1 receptor |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Ednra |
Synonym | endothelin A receptor Endothelin receptor type A {ECO:0000312|RGD:2535} ENDOR endothelin-1 receptor ET-A [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 426 |
Amino acid sequence | MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCMLNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSSHKDSMN |
UniProt | P26684 |
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 | CHEMBL4566 |
IUPHAR | 219 |
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 | 4-t-butyl-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide Ro-47-0203/039 4-tert-Butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzenesulfonamide SR-05000001532-2 AB01275536-01 [ 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 |
---|---|---|---|
A2 | 63.0958 nM | PMID8035319 | IUPHAR |
IC50 | 4.7 nM | PMID25614116 | BindingDB,ChEMBL |
Kd | 50.12 nM | Bioorg. Med. Chem. Lett., (1997) 7:17:2223 | ChEMBL |
Kd | 72.44 nM | PMID12617929 | ChEMBL |
Ki | 6.5 nM | PMID15055997 | BindingDB,ChEMBL |
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