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Target
C-C chemokine receptor type 5
Ligand
BDBM50305800
Substrate
n/a
Meas. Tech.
ChEMBL_604792 (CHEMBL1072586)
IC50
2±n/a nM
Citation
 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett 20:704-8 (2010) [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:
BDBM50305800
Synonyms:
((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2,4-dimethyl-6-(trifluoromethyl)pyridin-3-yl)methanone | CHEMBL593046
Type:
Small organic molecule
Emp. Form.:
C33H39F5N4O2
Mol. Mass.:
618.6804
SMILES:
Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F |r|
Structure:
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