| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
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| Ligand | BDBM50088301 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_338784 (CHEMBL860618) |
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| IC50 | 1.4±n/a nM |
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| Citation |  Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Highly potent and orally active CCR5 antagonists as anti-HIV-1 agents: synthesis and biological activities of 1-benzazocine derivatives containing a sulfoxide moiety. J Med Chem49:2037-48 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| C-C chemokine receptor type 5 |
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| Name: | C-C chemokine receptor type 5 |
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| Synonyms: | C-C CKR-5 | C-C chemokine receptor type 5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5/mu opioid receptor complex | CCR5_HUMAN | CD_antigen=CD195 | CHEMR13 | CMKBR5 | HIV-1 fusion coreceptor |
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| Type: | Enzyme |
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| Mol. Mass.: | 40540.21 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P51681 |
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| Residue: | 352 |
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| Sequence: | MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
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| BDBM50088301 |
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| n/a |
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| Name | BDBM50088301 |
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| Synonyms: | (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride | (TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride | CHEMBL41275 | CHEMBL64322 | Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride | Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779) | N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride | TAK-779 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H39N2O2 |
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| Mol. Mass. | 495.6744 |
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| SMILES | Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| |
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| Structure | 
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