Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50249303
Substrate
n/a
Meas. Tech.
ChEBML_39628
IC50
1.3±n/a nM
Citation
 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Syntheses and SAR studies of 4-(heteroarylpiperdin-1-yl-methyl)-pyrrolidin-1-yl-acetic acid antagonists of the human CCR5 chemokine receptor. Bioorg Med Chem Lett 14:3419-24 (2004) [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:
BDBM50249303
Synonyms:
(R)-2-((3S,4S)-3-((4-(2-benzylthiazol-4-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid | CHEMBL481080
Type:
Small organic molecule
Emp. Form.:
C34H43N3O2S
Mol. Mass.:
557.789
SMILES:
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2csc(Cc3ccccc3)n2)[C@H](C1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: