| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
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| Ligand | BDBM50336345 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_762023 (CHEMBL1816015) |
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| IC50 | 30000±n/a nM |
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| Citation |  Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Discovery of 4-[4-({(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]benzoic acid hydrochloride: a highly potent orally available CCR5 selective antagonist. Bioorg Med Chem19:4028-42 (2011) [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 |
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| Synonyms: | C-C CKR-5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5_RABIT | CD_antigen=CD195 | CMKBR5 | MIP-1 alpha receptor |
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| Type: | PROTEIN |
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| Mol. Mass.: | 40090.79 |
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| Organism: | Oryctolagus cuniculus |
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| Description: | ChEMBL_762023 |
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| Residue: | 352 |
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| Sequence: | MDYSMSTALYDIDYGMSEPCQKIDVKQVAARLLPPLYSLVFIFGFVGNLLVVLILITCKK
LKSMTDIYLLNLAISDLLFLLTLPLWAHYAAAEWDFGGAMCKVFTGMYHMGYFGGIFFII
LLTIDRYLAIVHAVFALKARTVTFGVVTSGVTWVAAILVSLPDIIFTRSQKEGFRCSCSP
HFPASQYQFWKNFHTIMRNILSLVLPLLVMIVCYSGILKTLLRCRNEKRRHRAVRLIFAI
MVVYFLFWAPYNVVLLLNTFQEFFGLNNCSSSNRLDRAMQVTETLGMTHCCINPVVYAFV
GEKFRSYLSAFFRKHVAKRLCKHCPLLPRETPEPASSVYTRSTGEQEISVGL
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| BDBM50336345 |
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| n/a |
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| Name | BDBM50336345 |
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| Synonyms: | 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride | APLAVIROC | CHEMBL1668019 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H43N3O6 |
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| Mol. Mass. | 577.711 |
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| SMILES | CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r| |
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| Structure | 
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