Reaction Details |
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Target | C-C chemokine receptor type 5 |
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Ligand | BDBM50103084 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_39649 |
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Ki | 44±n/a nM |
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Citation | Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Piperazine-based CCR5 antagonists as HIV-1 inhibitors. I: 2(S)-methyl piperazine as a key pharmacophore element. Bioorg Med Chem Lett11:2143-6 (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 |
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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BDBM50103084 |
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n/a |
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Name | BDBM50103084 |
Synonyms: | CHEMBL66623 | {4-[(S)-4-(4-Benzo[1,3]dioxol-5-ylmethyl-benzyl)-3-methyl-piperazin-1-yl]-piperidin-1-yl}-(2,6-dimethyl-phenyl)-methanone |
Type | Small organic molecule |
Emp. Form. | C34H41N3O3 |
Mol. Mass. | 539.7076 |
SMILES | C[C@H]1CN(CCN1Cc1ccc(Cc2ccc3OCOc3c2)cc1)C1CCN(CC1)C(=O)c1c(C)cccc1C |
Structure |
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