| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
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| Ligand | BDBM50104961 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_39651 (CHEMBL649956) |
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| Ki | 30±n/a nM |
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| Citation |  Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Piperazine-based CCR5 antagonists as HIV-1 inhibitors. II. Discovery of 1-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4- methyl-4-[3(S)-methyl-4-[1(S)-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]- piperidine N1-oxide (Sch-350634), an orally bioavailable, potent CCR5 antagonist. J Med Chem44:3343-6 (2001) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 40540.21 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P51681 |
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| Residue: | 352 |
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| Sequence: | MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
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| BDBM50104961 |
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| n/a |
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| Name | BDBM50104961 |
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| Synonyms: | (2,6-Dimethyl-phenyl)-{4-[(S)-4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-piperidin-1-yl}-methanone | (2,6-Dimethyl-phenyl)-{4-[4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-piperidin-1-yl}-methanone | CHEMBL116008 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H34IN3O |
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| Mol. Mass. | 531.4721 |
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| SMILES | C[C@H]1CN(CCN1Cc1ccc(I)cc1)C1CCN(CC1)C(=O)c1c(C)cccc1C |
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| Structure | 
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