| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
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| Ligand | BDBM50141913 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_44691 |
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| IC50 | 0.600000±n/a nM |
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| Citation |  Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 3: SAR studies on the benzylpyrazole segment. Bioorg Med Chem Lett14:947-52 (2004) [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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| BDBM50141913 |
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| n/a |
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| Name | BDBM50141913 |
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| Synonyms: | (2R,4S)-2-[(2S,3S)-3-(4-{2-Ethyl-5-[4-(2,2,2-trifluoro-ethoxy)-benzyl]-2H-pyrazol-3-yl}-piperidin-1-ylmethyl)-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid | CHEMBL176933 |
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| Type | Small organic molecule |
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| Emp. Form. | C36H46F4N4O3 |
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| Mol. Mass. | 658.7691 |
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| SMILES | CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OCC(F)(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O |
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| Structure | 
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