Reaction Details |
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Target | C-C chemokine receptor type 5 |
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Ligand | BDBM50121838 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_500129 (CHEMBL974332) |
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IC50 | 0.06±n/a nM |
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Citation | Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Three-dimensional QSAR analyses of 1,3,4-trisubstituted pyrrolidine-based CCR5 receptor inhibitors. Eur J Med Chem43:2724-34 (2008) [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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BDBM50121838 |
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n/a |
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Name | BDBM50121838 |
Synonyms: | (R)-3-cyclopropyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)propanoic acid | 3-(R)-Cyclopropyl-2-[(S)-3-{4-[3,3-difluoro-3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid | CHEMBL21106 |
Type | Small organic molecule |
Emp. Form. | C31H38F4N2O2 |
Mol. Mass. | 546.6392 |
SMILES | OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 |r| |
Structure |
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