Reaction Details |
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Target | C-C chemokine receptor type 5 |
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Ligand | BDBM50123437 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_39648 (CHEMBL649953) |
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Ki | 11±n/a nM |
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Citation | McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Piperazine-based CCR5 antagonists as HIV-1 inhibitors. III: synthesis, antiviral and pharmacokinetic profiles of symmetrical heteroaryl carboxamides. Bioorg Med Chem Lett13:567-71 (2003) [PubMed] |
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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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BDBM50123437 |
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n/a |
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Name | BDBM50123437 |
Synonyms: | (2-Methoxy-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone | CHEMBL140706 |
Type | Small organic molecule |
Emp. Form. | C28H38F3N5O2 |
Mol. Mass. | 533.6288 |
SMILES | COc1nc(C)c(C(=O)N2CCC(C)(CC2)N2CCN([C@@H](C)c3ccc(cc3)C(F)(F)F)[C@@H](C)C2)c(C)n1 |
Structure |
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