| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
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| Ligand | BDBM50312848 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_615873 (CHEMBL1102707) |
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| IC50 | 5±n/a nM |
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| Citation |  Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Evaluation of a 3-amino-8-azabicyclo[3.2.1]octane replacement in the CCR5 antagonist maraviroc. Bioorg Med Chem Lett20:1674-6 (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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| BDBM50312848 |
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| n/a |
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| Name | BDBM50312848 |
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| Synonyms: | CHEMBL1087153 | N-((S)-3-((1R,3S,5S)-3-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-fluorophenyl)propyl)-4,4-difluorocyclohexanecarboxamide |
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| Type | Small organic molecule |
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| Emp. Form. | C27H36F3N5O |
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| Mol. Mass. | 503.6028 |
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| SMILES | Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(F)c1 |r,THB:15:14:13.7.8:11.10| |
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| Structure | 
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