Reaction Details |
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Target | C-C chemokine receptor type 5 |
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Ligand | BDBM50254752 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_560710 (CHEMBL1010845) |
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IC50 | 19±n/a nM |
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Citation | Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Discovery of a potent, selective and orally bioavailable 3,9-diazaspiro[5.5]undeca-2-one CCR5 antagonist. Bioorg Med Chem Lett19:209-13 (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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BDBM50254752 |
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n/a |
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Name | BDBM50254752 |
Synonyms: | 1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-(4-fluorobenzyl)-3,9-diazaspiro[5.5]undecan-2-one | CHEMBL451400 |
Type | Small organic molecule |
Emp. Form. | C33H46FN5O2 |
Mol. Mass. | 563.749 |
SMILES | CCCCC1C(=O)N(Cc2ccc(F)cc2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |
Structure |
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