Reaction Details |
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Target | C-C chemokine receptor type 5 |
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Ligand | BDBM50318428 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_630265 (CHEMBL1106474) |
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IC50 | 12±n/a nM |
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Citation | Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. Bioorg Med Chem Lett20:3116-9 (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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 40540.21 |
Organism: | Homo sapiens (Human) |
Description: | P51681 |
Residue: | 352 |
Sequence: | MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
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BDBM50318428 |
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n/a |
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Name | BDBM50318428 |
Synonyms: | 2-(4,4-difluorocyclohexyl)-N-((S)-3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)acetamide | CHEMBL1098357 |
Type | Small organic molecule |
Emp. Form. | C30H38F3N5O2 |
Mol. Mass. | 557.6502 |
SMILES | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 |r| |
Structure |
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