Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50148684
Substrate
n/a
Meas. Tech.
ChEBML_39655
IC50
6800±n/a nM
Citation
 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Syntheses and biological evaluation of 5-(piperidin-1-yl)-3-phenyl-pentylsulfones as CCR5 antagonists. Bioorg Med Chem Lett 14:3589-93 (2004) [PubMed]  Article
Target
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:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
  
Inhibitor
Name:
BDBM50148684
Synonyms:
CHEMBL118196 | [1-(5-Benzenesulfonyl-3-methyl-3-phenyl-hexyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C34H44N2O4S
Mol. Mass.:
576.789
SMILES:
CCN(C1CCN(CCC(C)(CC(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1
Structure:
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