Reaction Details |
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Target | C-C chemokine receptor type 5 |
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Ligand | BDBM50394586 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_857678 (CHEMBL2168514) |
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IC50 | 0.5±n/a nM |
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Citation | Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D Mitigating hERG Inhibition: Design of Orally Bioavailable CCR5 Antagonists as Potent Inhibitors of R5 HIV-1 Replication. ACS Med Chem Lett3:216-221 (2012) [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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BDBM50394586 |
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n/a |
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Name | BDBM50394586 |
Synonyms: | CHEMBL2164212 |
Type | Small organic molecule |
Emp. Form. | C31H38ClN5O4S |
Mol. Mass. | 612.183 |
SMILES | C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)NCc1ccc(cc1)C(O)=O |r| |
Structure |
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