Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50110096
Substrate
n/a
Meas. Tech.
ChEBML_39510
IC50
5±n/a nM
Citation
 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA CCR5 antagonists: bicyclic isoxazolidines as conformationally constrained N-1-substituted pyrrolidines. Bioorg Med Chem Lett 12:677-9 (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:
BDBM50110096
Synonyms:
1-benzyloxycarbonyl(ethyl)1-[4'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-5-ylmethyl]hexahydro-4-pyridinylamine | CHEMBL423427
Type:
Small organic molecule
Emp. Form.:
C33H45N3O3
Mol. Mass.:
531.7287
SMILES:
CCN(C1CCN(C[C@H]2CN3OC4(C[C@H]3[C@@H]2c2ccccc2)CCCCC4)CC1)C(=O)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: