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TargetC-C chemokine receptor type 5
LigandBDBM50105503
Substrate/Competitorn/a
Meas. Tech.ChEBML_39629
IC50 0.200000±n/a nM
Citation Hale JJBudhu RJHolson EBFinke PEOates BMills SGMacCoss MGould SLDeMartino JASpringer MSSiciliano SMalkowitz LSchleif WAHazuda DMiller MKessler JDanzeisen RHolmes KLineberger JCarella ACarver GEmini E 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 2: lead optimization affording selective, orally bioavailable compounds with potent anti-HIV activity. Bioorg Med Chem Lett 11:2741-5 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
C-C chemokine receptor type 5
Name:CCR5/mu opioid receptor complex
Synonyms:C-C CKR-5 | CC-CKR-5 | CCR-5 | CCR5/mu opioid receptor complex | CD_antigen=CD195 | CHEMR13 | HIV-1 fusion coreceptor
Type:Enzyme
Mol. Mass.:40540.21
Organism:Homo sapiens (Human)
Description:P51681
Residue:352
Sequence:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50105503
n/a
NameBDBM50105503
Synonyms:Allyl-[1-((3S,4S)-1-benzoyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester | CHEMBL431852
TypeSmall organic molecule
Emp. Form.C34H38N4O5
Mol. Mass.582.6893
SMILES[O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)c3ccccc3)CC2)cc1
Structure
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