Reaction Details |
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Target | C-C chemokine receptor type 5 |
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Ligand | BDBM50088319 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_39630 (CHEMBL649937) |
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IC50 | 2.2±n/a nM |
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Citation | Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Discovery of novel, potent, and selective small-molecule CCR5 antagonists as anti-HIV-1 agents: synthesis and biological evaluation of anilide derivatives with a quaternary ammonium moiety. J Med Chem43:2049-63 (2000) [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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BDBM50088319 |
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n/a |
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Name | BDBM50088319 |
Synonyms: | CHEMBL62339 | Dimethyl-(4-{[3-(4-piperidin-1-yl-phenyl)-8,9-dihydro-7H-benzocycloheptene-6-carbonyl]-amino}-benzyl)-(tetrahydro-pyran-4-yl)-ammonium; iodide |
Type | Small organic molecule |
Emp. Form. | C37H46N3O2 |
Mol. Mass. | 564.7795 |
SMILES | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3CCC2)-c2ccc(cc2)N2CCCCC2)cc1)C1CCOCC1 |t:11| |
Structure |
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