Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50105510
Substrate
n/a
Meas. Tech.
ChEBML_39629
IC50
0.100000±n/a nM
Citation
 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 2: lead optimization affording selective, orally bioavailable compounds with potent anti-HIV activity. Bioorg Med Chem Lett 11:2741-5 (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:
BDBM50105510
Synonyms:
Allyl-{1-[(S)-4-(benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester | CHEMBL93139
Type:
Small organic molecule
Emp. Form.:
C34H42N4O6S
Mol. Mass.:
634.785
SMILES:
CN(C[C@@](C)(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1
Structure:
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