| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
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| Ligand | BDBM50105557 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_39629 |
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| IC50 | 2±n/a nM |
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| Citation |  Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 2: lead optimization affording selective, orally bioavailable compounds with potent anti-HIV activity. Bioorg Med Chem Lett11:2741-5 (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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| BDBM50105557 |
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| n/a |
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| Name | BDBM50105557 |
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| Synonyms: | CHEMBL93851 | {1-[(3S,4S)-1-(2-Chloro-benzoyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-ethyl-carbamic acid benzyl ester |
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| Type | Small organic molecule |
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| Emp. Form. | C33H38ClN3O3 |
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| Mol. Mass. | 560.126 |
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| SMILES | CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)C(=O)OCc1ccccc1 |
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| Structure | 
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