| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
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| Ligand | BDBM50305799 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_604792 (CHEMBL1072586) |
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| IC50 | 1±n/a nM |
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| Citation |  Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett20:704-8 (2010) [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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| BDBM50305799 |
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| n/a |
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| Name | BDBM50305799 |
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| Synonyms: | 5-((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbonyl)-3-phenylazetidin-3-yl)ethyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile | CHEMBL593042 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H35F2N5O2 |
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| Mol. Mass. | 547.6387 |
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| SMILES | Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C#N |r| |
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| Structure | 
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