| Reaction Details |
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 | Report a problem with these data |
| Target | Endothelin receptor type B/1 receptor |
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| Ligand | BDBM50231138 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_64206 |
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| IC50 | 169000±n/a nM |
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| Citation |  Doherty, AM; Cody, WL; DePue, PL; He, JX; Waite, LA; Leonard, DM; Leitz, NL; Dudley, DT; Rapundalo, ST; Hingorani, GP Structure-activity relationships of C-terminal endothelin hexapeptide antagonists. J Med Chem36:2585-94 (1993) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Endothelin receptor type B/1 receptor |
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| Name: | Endothelin receptor type B/1 receptor |
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| Synonyms: | Endothelin receptor |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 64206 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Endothelin receptor type B |
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| Synonyms: | EDNRB_RAT | ENDOTHELIN B | ET-B | Ednrb | Endothelin receptor | Endothelin receptor non-selective type |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 49483.43 |
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| Organism: | RAT |
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| Description: | ENDOTHELIN B EDNRB RAT::P21451 |
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| Residue: | 442 |
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| Sequence: | MQSSASRCGRALVALLLACGLLGVWGEKRGFPPAQATPSLLGTKEVMTPPTKTSWTRGSN
SSLMRSSAPAEVTKGGRVAGVPPRSFPPPCQRKIEINKTFKYINTIVSCLVFVLGIIGNS
TLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINAYKLLAGDWPFGAEMCKLVPFI
QKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGF
DVITSDYKGKPLRVCMLNPFQKTAFMQFYKTAKDWWLFSFYFCLPLAITAIFYTLMTCEM
LRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQSNPQRCEL
LSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQTFEEKQSLEEKQSC
LKFKANDHGYDNFRSSNKYSSS
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| Component 2 |
| Name: | Endothelin-1 receptor |
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| Synonyms: | EDNRA_RAT | ENDOTHELIN A | Ednra | Endothelin receptor | Endothelin-1 receptor |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 48256.91 |
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| Organism: | RAT |
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| Description: | ENDOTHELIN A EDNRA RAT::P26684 |
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| Residue: | 426 |
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| Sequence: | MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALP
SNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIA
SLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALS
VDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCM
LNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQ
RREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATM
NSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSS
HKDSMN
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| BDBM50231138 |
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| n/a |
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| Name | BDBM50231138 |
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| Synonyms: | CHEMBL3350293 |
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| Type | Small organic molecule |
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| Emp. Form. | C41H59N9O10 |
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| Mol. Mass. | 837.9615 |
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| SMILES | CC[C@@H](C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |
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| Structure | 
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