Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50374074
Substrate
n/a
Meas. Tech.
ChEMBL_468926 (CHEMBL949217)
IC50
29±n/a nM
Citation
 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundström, J Anti-HIV-1 entry optimization of novel imidazopiperidine-tropane CCR5 antagonists. Bioorg Med Chem Lett 18:1498-501 (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:
BDBM50374074
Synonyms:
CHEMBL257728
Type:
Small organic molecule
Emp. Form.:
C30H40N6O
Mol. Mass.:
500.6782
SMILES:
CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(C)c1)c1ccccc1 |THB:17:16:10.9.15:13.12|
Structure:
Search PDB for entries with ligand similarity: