Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetC-C chemokine receptor type 5
LigandBDBM50123133
Substrate/Competitorn/a
Meas. Tech.ChEBML_85861
IC50 300±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:
BDBM50123133
n/a
NameBDBM50123133
Synonyms:(2-Chloro-phenyl)-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-methanone | CHEMBL138282
TypeSmall organic molecule
Emp. Form.C31H37ClN4O
Mol. Mass.517.105
SMILESCCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)c1ccccn1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: