Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50165097
Substrate
n/a
Meas. Tech.
ChEMBL_305950 (CHEMBL832790)
IC50
63±n/a nM
Citation
 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Potent 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists: effects of fused heterocycles on antiviral activity and pharmacokinetic properties. Bioorg Med Chem Lett 15:2129-34 (2005) [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:
BDBM50165097
Synonyms:
(R)-2-cyclohexyl-2-((3S,4S)-3-((4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid | (R)-Cyclohexyl-{(3S,4S)-3-[4-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid | CHEMBL195199
Type:
Small organic molecule
Emp. Form.:
C31H40N4O3
Mol. Mass.:
516.6743
SMILES:
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2c3ccccc3[nH]c2=O)[C@H](C1)c1ccccc1 |r|
Structure:
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