Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50394601
Substrate
n/a
Meas. Tech.
ChEMBL_857678 (CHEMBL2168514)
IC50
0.11±n/a nM
Citation
 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D Mitigating hERG Inhibition: Design of Orally Bioavailable CCR5 Antagonists as Potent Inhibitors of R5 HIV-1 Replication. ACS Med Chem Lett 3:216-221 (2012) [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:
BDBM50394601
Synonyms:
CHEMBL2164217
Type:
Small organic molecule
Emp. Form.:
C28H35ClN6O2S
Mol. Mass.:
555.134
SMILES:
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)Nc1cccnc1 |r|
Structure:
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