Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50310747
Substrate
n/a
Meas. Tech.
ChEMBL_621115 (CHEMBL1113199)
IC50
10±n/a nM
Citation
 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Spiropiperidine CCR5 antagonists. Bioorg Med Chem Lett 19:5401-6 (2009) [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:
BDBM50310747
Synonyms:
(5S)-5-butyl-9-(1-(2,4-dimethylnicotinoyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-2-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one | CHEMBL1078335
Type:
Small organic molecule
Emp. Form.:
C32H50N4O4
Mol. Mass.:
554.7638
SMILES:
CCCC[C@H]1CN(CC2CCCCO2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C |r|
Structure:
Search PDB for entries with ligand similarity: