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Name | Endothelin-1 receptor |
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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 | CHEMBL94141 |
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Molecular formula | C23H21NO4S |
IUPAC name | (4S)-4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid |
Molecular weight | 407.484 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.5 |
Synonyms | (S)-4-[2-Cyano-5-(3-thienylmethoxy)phenoxy]-4-(2-methylphenyl)butyric acid BDBM50065511 SCHEMBL7900895 (S)-4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid |
Inchi Key | ARDXPWJWTGZJGO-NRFANRHFSA-N |
Inchi ID | InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)/t21-/m0/s1 |
PubChem CID | 10669120 |
ChEMBL | CHEMBL94141 |
IUPHAR | N/A |
BindingDB | 50065511 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 113.0 nM | PMID9667964 | BindingDB,ChEMBL |
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