Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50121818
Substrate
n/a
Meas. Tech.
ChEBML_49693
IC50
0.300000±n/a nM
Citation
 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists: modifications of the arylpropylpiperidine side chains. Bioorg Med Chem Lett 13:119-23 (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:
BDBM50121818
Synonyms:
(R)-3-cyclobutyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)propanoic acid | 3-(R)-Cyclobutyl-2-[(S)-3-{4-[3,3-difluoro-3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid | CHEMBL21117
Type:
Small organic molecule
Emp. Form.:
C32H40F4N2O2
Mol. Mass.:
560.6658
SMILES:
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 |r|
Structure:
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