Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50404280
Substrate
n/a
Meas. Tech.
ChEBML_39628
IC50
1±n/a nM
Citation
 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Syntheses and SAR studies of 4-(heteroarylpiperdin-1-yl-methyl)-pyrrolidin-1-yl-acetic acid antagonists of the human CCR5 chemokine receptor. Bioorg Med Chem Lett 14:3419-24 (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:
BDBM50404280
Synonyms:
CHEMBL2112555
Type:
Small organic molecule
Emp. Form.:
C33H42FN3O2S
Mol. Mass.:
563.769
SMILES:
CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1
Structure:
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