Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50339959
Substrate
n/a
Meas. Tech.
ChEMBL_739992 (CHEMBL1763052)
IC50
290±n/a nM
Citation
 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Design and synthesis of pyridin-2-yloxymethylpiperidin-1-ylbutyl amide CCR5 antagonists that are potent inhibitors of M-tropic (R5) HIV-1 replication. Bioorg Med Chem Lett 21:2450-5 (2011) [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:
BDBM50339959
Synonyms:
(E)-3-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)butylcarbamoyl)-2,4-dimethylpyridine 1-oxide | CHEMBL1762304
Type:
Small organic molecule
Emp. Form.:
C26H35BrN4O3
Mol. Mass.:
531.485
SMILES:
CCO[N-][C+](C1CCN(CC1)C(C)CCNC(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: