| Reaction Details |
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 | Report a problem with these data |
| Target | Endothelin receptor type B |
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| Ligand | BDBM50080622 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_63674 (CHEMBL670477) |
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| IC50 | 2.1±n/a nM |
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| Citation |  Liu, G; Kozmina, NS; Winn, M; von Geldern, TW; Chiou, WJ; Dixon, DB; Nguyen, B; Marsh, KC; Opgenorth, TJ Design, synthesis, and activity of a series of pyrrolidine-3-carboxylic acid-based, highly specific, orally active ET(B) antagonists containing a diphenylmethylamine acetamide side chain. J Med Chem42:3679-89 (1999) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Endothelin receptor type B |
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| Name: | Endothelin receptor type B |
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| Synonyms: | EDNRB | EDNRB_HUMAN | ENDOTHELIN B | ET-B | ETRB | Endothelin receptor ET-B | Endothelin receptor non-selective type | Endothelin receptor, ET-A/ET-B |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 49664.00 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ENDOTHELIN B EDNRB HUMAN::P24530 |
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| Residue: | 442 |
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| Sequence: | MQPPPSLCGRALVALVLACGLSRIWGEERGFPPDRATPLLQTAEIMTPPTKTLWPKGSNA
SLARSLAPAEVPKGDRTAGSPPRTISPPPCQGPIEIKETFKYINTVVSCLVFVLGIIGNS
TLLRIIYKNKCMRNGPNILIASLALGDLLHIVIDIPINVYKLLAEDWPFGAEMCKLVPFI
QKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGF
DIITMDYKGSYLRICLLHPVQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEM
LRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYNQNDPNRCEL
LSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSC
LKFKANDHGYDNFRSSNKYSSS
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| BDBM50080622 |
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| n/a |
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| Name | BDBM50080622 |
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| Synonyms: | (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-[(2-methyl-1-phenyl-propylcarbamoyl)-methyl]-pyrrolidine-3-carboxylic acid; TFA | CHEMBL121647 | CHEMBL366441 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H34N2O6 |
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| Mol. Mass. | 530.6115 |
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| SMILES | COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(C(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O |
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| Structure | 
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