Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50088323
Substrate
n/a
Meas. Tech.
ChEMBL_39630 (CHEMBL649937)
IC50
380±n/a nM
Citation
 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Discovery of novel, potent, and selective small-molecule CCR5 antagonists as anti-HIV-1 agents: synthesis and biological evaluation of anilide derivatives with a quaternary ammonium moiety. J Med Chem 43:2049-63 (2000) [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:
BDBM50088323
Synonyms:
1-Methyl-1-{4-[(7-phenyl-3,4-dihydro-naphthalene-2-carbonyl)-amino]-benzyl}-azepanium; iodide | CHEMBL293882
Type:
Small organic molecule
Emp. Form.:
C31H35N2O
Mol. Mass.:
451.6219
SMILES:
C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(ccc4CC3)-c3ccccc3)cc2)CCCCCC1 |t:10|
Structure:
Search PDB for entries with ligand similarity: