Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50105524
Substrate
n/a
Meas. Tech.
ChEBML_39629
IC50
48±n/a nM
Citation
 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 2: lead optimization affording selective, orally bioavailable compounds with potent anti-HIV activity. Bioorg Med Chem Lett 11:2741-5 (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:
BDBM50105524
Synonyms:
CHEMBL93457 | Cyclobutyl-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone
Type:
Small organic molecule
Emp. Form.:
C27H34N2O
Mol. Mass.:
402.5717
SMILES:
O=C(C1CCC1)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1
Structure:
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