Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50096515
Substrate
n/a
Meas. Tech.
ChEBML_49701
IC50
35±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]
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:
BDBM50096515
Synonyms:
(2S)-2-(3,4-dichlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide | 1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[1-oxo-2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)] | 1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)] | 1-oxo-1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)] | CHEMBL79504
Type:
Small organic molecule
Emp. Form.:
C29H32Cl2N2O3S2
Mol. Mass.:
591.612
SMILES:
CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
Structure:
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