| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
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| Ligand | BDBM50329243 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_675124 (CHEMBL1272915) |
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| IC50 | 30±n/a nM |
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| Citation |  Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Evaluation of amide replacements in CCR5 antagonists as a means to increase intrinsic permeability. Part 2: SAR optimization and pharmacokinetic profile of a homologous azacyle series. Bioorg Med Chem Lett20:6802-7 (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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| BDBM50329243 |
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| n/a |
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| Name | BDBM50329243 |
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| Synonyms: | ((3aR,6aS)-5-(3-(1-(cyclopropylsulfonyl)azetidin-3-yl)-3-(3-fluorophenyl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone | CHEMBL1270303 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H36FN5O3S |
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| Mol. Mass. | 541.681 |
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| SMILES | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(C3)S(=O)(=O)C3CC3)c3cccc(F)c3)C[C@@H]2C1 |r| |
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| Structure | 
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