Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50096568
Substrate
n/a
Meas. Tech.
ChEBML_49830
IC50
80±n/a nM
Citation
 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 2: structure-activity relationships for substituted 2-Aryl-1-[N-(methyl)-N-(phenylsulfonyl)amino]-4-(piperidin-1-yl)butanes. Bioorg Med Chem Lett 11:265-70 (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:
BDBM50096568
Synonyms:
1'-[3-benzo[d][1,3]dioxol-5-yl-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)] | CHEMBL328898
Type:
Small organic molecule
Emp. Form.:
C30H34N2O6S2
Mol. Mass.:
582.731
SMILES:
CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc2OCOc2c1)S(=O)(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: