Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50119320
Substrate
n/a
Meas. Tech.
ChEMBL_39512 (CHEMBL654809)
IC50
10±n/a nM
Citation
 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 3: polar functionality and its effect on anti-HIV-1 activity. Bioorg Med Chem Lett 12:2997-3000 (2002) [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:
BDBM50119320
Synonyms:
4-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)benzoic acid | 4-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-benzoic acid | CHEMBL319689
Type:
Small organic molecule
Emp. Form.:
C33H46N2O3
Mol. Mass.:
518.7299
SMILES:
OC(=O)c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: