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Target
C-C chemokine receptor type 5
Ligand
BDBM50234723
Substrate
n/a
Meas. Tech.
ChEMBL_462634 (CHEMBL928563)
IC50
64±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:
BDBM50234723
Synonyms:
(2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(phenyl-pyridin-3-yl-amino)-[1,4']bipiperidinyl-1'-yl]-methanone | CHEMBL255858
Type:
Small organic molecule
Emp. Form.:
C30H37N5O2
Mol. Mass.:
499.6471
SMILES:
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Structure:
Search PDB for entries with ligand similarity: