Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetC-C chemokine receptor type 5
LigandBDBM50105544
Substrate/Competitorn/a
Meas. Tech.ChEBML_39629
IC50 0.800000±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 Lett11:2741-5 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
C-C chemokine receptor type 5
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:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50105544
n/a
NameBDBM50105544
Synonyms:Allyl-[1-((3S,4S)-1-cyclohexanecarbonyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester | CHEMBL328260
TypeSmall organic molecule
Emp. Form.C34H44N4O5
Mol. Mass.588.737
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
Search PDB for entries with ligand similarity:Similarity to this molecule at least: