Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50249492
Substrate
n/a
Meas. Tech.
ChEMBL_500129 (CHEMBL974332)
IC50
0.76±n/a nM
Citation
 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Three-dimensional QSAR analyses of 1,3,4-trisubstituted pyrrolidine-based CCR5 receptor inhibitors. Eur J Med Chem 43:2724-34 (2008) [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:
BDBM50249492
Synonyms:
(R)-2-((3S,4S)-3-((4-(2-benzyl-4-ethylthiazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclobutylpropanoic acid | CHEMBL471251
Type:
Small organic molecule
Emp. Form.:
C35H45N3O2S
Mol. Mass.:
571.816
SMILES:
CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC2CCC2)C(O)=O)CC1 |r|
Structure:
Search PDB for entries with ligand similarity: