| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
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| Ligand | BDBM50096515 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_49702 |
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| IC50 | 35±n/a nM |
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| Citation |  Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 4: synthesis and structure-activity relationships for 1-[N-(methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-(4-(N-(alkyl)-N-(benzyloxycarbonyl)amino)piperidin-1-yl)butanes. Bioorg Med Chem Lett11:2475-9 (2001) [PubMed] |
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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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| BDBM50096515 |
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| n/a |
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| Name | BDBM50096515 |
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| Synonyms: | (2S)-2-(3,4-dichlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide | 1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[1-oxo-2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)] | 1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)] | 1-oxo-1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)] | CHEMBL79504 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H32Cl2N2O3S2 |
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| Mol. Mass. | 591.612 |
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| SMILES | CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 |
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| Structure | 
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