| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
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| Ligand | BDBM50254718 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_560710 (CHEMBL1010845) |
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| IC50 | 22±n/a nM |
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| Citation |  Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Discovery of a potent, selective and orally bioavailable 3,9-diazaspiro[5.5]undeca-2-one CCR5 antagonist. Bioorg Med Chem Lett19:209-13 (2008) [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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| BDBM50254718 |
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| n/a |
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| Name | BDBM50254718 |
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| Synonyms: | (4-(7-butyl-9-(tetrahydro-2H-pyran-4-ylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone | CHEMBL454253 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H51N5O4S |
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| Mol. Mass. | 589.833 |
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| SMILES | CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CCOCC1 |
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| Structure | 
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