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Target
C-C chemokine receptor type 5
Ligand
BDBM50234728
Substrate
n/a
Meas. Tech.
ChEMBL_462626 (CHEMBL929615)
IC50
0.8±n/a nM
Citation
 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Reduced cardiac side-effect potential by introduction of polar groups: discovery of NIBR-1282, an orally bioavailable CCR5 antagonist which is active in vivo. Bioorg Med Chem Lett 18:2000-5 (2008) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 5
Synonyms:
C-C CKR-5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5_MACFA | CD_antigen=CD195 | CMKBR5
Type:
PROTEIN
Mol. Mass.:
40522.13
Organism:
Macaca fascicularis
Description:
ChEMBL_462626
Residue:
352
Sequence:
MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
  
Inhibitor
Name:
BDBM50234728
Synonyms:
(2,4-dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone | CHEMBL255856
Type:
Small organic molecule
Emp. Form.:
C30H37N5O
Mol. Mass.:
483.6477
SMILES:
Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Structure:
Search PDB for entries with ligand similarity: