Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50319435
Substrate
n/a
Meas. Tech.
ChEMBL_634191 (CHEMBL1119773)
IC50
62±n/a nM
Citation
 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett 20:3219-22 (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:
BDBM50319435
Synonyms:
(R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-1-((trans-4-methoxycyclohexyl)methyl)-4-phenylimidazolidin-2-one | CHEMBL1085222
Type:
Small organic molecule
Emp. Form.:
C35H50N6O3
Mol. Mass.:
602.8099
SMILES:
CO[C@H]1CC[C@H](CN2C[C@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)ncnc3C)C2=O)c2ccccc2)CC1 |r,wU:9.39,5.5,wD:2.1,(-10.68,-6.97,;-9.34,-6.21,;-9.33,-4.68,;-7.98,-3.91,;-7.97,-2.37,;-9.3,-1.6,;-9.29,-.06,;-7.96,.71,;-8.02,2.24,;-6.58,2.78,;-5.62,1.59,;-4.08,1.65,;-3.37,3.03,;-1.83,3.1,;-1,1.79,;-1.71,.42,;-3.26,.36,;.54,1.86,;-.25,3.2,;1.36,.56,;2.89,.62,;3.61,1.98,;2.79,3.29,;1.24,3.23,;5.15,2.04,;5.87,3.4,;5.97,.74,;7.5,.81,;8.22,2.17,;8.33,-.49,;7.61,-1.86,;6.07,-1.92,;5.25,-.62,;3.71,-.68,;-6.47,.29,;-5.93,-1.15,;-5.81,4.11,;-4.26,4.1,;-3.49,5.43,;-4.25,6.77,;-5.8,6.77,;-6.57,5.44,;-10.64,-2.36,;-10.65,-3.89,)|
Structure:
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