Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetC-C chemokine receptor type 5
LigandBDBM50123135
Substrate/Competitorn/a
Meas. Tech.ChEMBL_39509 (CHEMBL654654)
IC50 1.6±n/a nM
Citation Willoughby, CARosauer, KGHale, JJBudhu, RJMills, SGChapman, KTMacCoss, MMalkowitz, LSpringer, MSGould, SLDeMartino, JASiciliano, SJCascieri, MACarella, ACarver, GHolmes, KSchleif, WADanzeisen, RHazuda, DKessler, JLineberger, JMiller, MEmini, EA 1,3,4 Trisubstituted pyrrolidine CCR5 receptor antagonists bearing 4-aminoheterocycle substituted piperidine side chains. Bioorg Med Chem Lett13:427-31 (2003) [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:
BDBM50123135
n/a
NameBDBM50123135
Synonyms:(R)-Cyclohexyl-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid | CHEMBL138437
TypeSmall organic molecule
Emp. Form.C31H44FN5O2
Mol. Mass.537.7118
SMILESCCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: