Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50088301
Substrate
n/a
Meas. Tech.
ChEMBL_49830 (CHEMBL662150)
Ki
1.4±n/a nM
Citation
 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 2: structure-activity relationships for substituted 2-Aryl-1-[N-(methyl)-N-(phenylsulfonyl)amino]-4-(piperidin-1-yl)butanes. Bioorg Med Chem Lett 11:265-70 (2001) [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:
BDBM50088301
Synonyms:
(E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride | (TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride | CHEMBL41275 | CHEMBL64322 | Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride | Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779) | N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride | TAK-779
Type:
Small organic molecule
Emp. Form.:
C33H39N2O2
Mol. Mass.:
495.6744
SMILES:
Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Structure:
Search PDB for entries with ligand similarity: