Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50104219
Substrate
n/a
Meas. Tech.
ChEBML_49701
IC50
120±n/a nM
Citation
 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 3: a proposed pharmacophore model for 1-[N-(methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butanes. Bioorg Med Chem Lett 11:2469-73 (2001) [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:
BDBM50104219
Synonyms:
CHEMBL82838 | N-{(S)-2-(3-Chloro-phenyl)-4-[4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-butyl}-N-methyl-benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C29H32ClF3N2O2S
Mol. Mass.:
565.09
SMILES:
CN(C[C@@H](CCN1CCC(CC1)c1cccc(c1)C(F)(F)F)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Structure:
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