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Target
C-C chemokine receptor type 5
Ligand
BDBM50121826
Substrate
n/a
Meas. Tech.
ChEMBL_500129 (CHEMBL974332)
IC50
1.6±n/a nM
Citation
 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Three-dimensional QSAR analyses of 1,3,4-trisubstituted pyrrolidine-based CCR5 receptor inhibitors. Eur J Med Chem 43:2724-34 (2008) [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:
BDBM50121826
Synonyms:
(2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-3-hydroxybutyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid | 3-Cyclopropyl-2-((S)-3-((R)-3-fluoro-phenyl)-4-{4-[3-(4-fluoro-phenyl)-3-hydroxy-butyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid | CHEMBL20598
Type:
Small organic molecule
Emp. Form.:
C32H42F2N2O3
Mol. Mass.:
540.6843
SMILES:
CC(O)(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 |r|
Structure:
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