| Reaction Details |
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 | Report a problem with these data |
| Target | Endothelin receptor type B/1 receptor |
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| Ligand | BDBM50187377 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_357787 (CHEMBL859044) |
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| Ki | >2000±n/a nM |
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| Citation |  Becker, OM; Dhanoa, DS; Marantz, Y; Chen, D; Shacham, S; Cheruku, S; Heifetz, A; Mohanty, P; Fichman, M; Sharadendu, A; Nudelman, R; Kauffman, M; Noiman, S An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression. J Med Chem49:3116-35 (2006) [PubMed] Article |
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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, ET-A/ET-B |
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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 357787 |
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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 | 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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| Component 2 |
| Name: | Endothelin-1 receptor |
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| Synonyms: | EDNRA | EDNRA_HUMAN | ET-A | ETA | ETA-R | ETRA | Endothelin receptor type A | Endothelin receptor, ET-A/ET-B | hET-AR |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 48736.88 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P25101 |
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| Residue: | 427 |
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| Sequence: | METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLP
SNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIA
SLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALS
VDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCM
LNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQ
RREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATM
NSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRS
SHKDSMN
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| BDBM50187377 |
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| n/a |
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| Name | BDBM50187377 |
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| Synonyms: | CHEMBL209821 | N-(3-(4-(4-(cyclohexylmethylsulfonamido)butyl)piperazin-1-yl)phenyl)acetamide | N-{3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-acetamide |
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| Type | Small organic molecule |
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| Emp. Form. | C23H38N4O3S |
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| Mol. Mass. | 450.638 |
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| SMILES | CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1 |
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| Structure | 
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