Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50509860
Substrate
n/a
Meas. Tech.
ChEMBL_2060393 (CHEMBL4715394)
IC50
780±n/a nM
Citation
 Yang, MG; Xiao, Z; Zhao, R; Tebben, AJ; Wang, B; Cherney, RJ; Batt, DG; Brown, GD; Cvijic, ME; Duncia, JV; Gallela, MA; Gardner, DS; Khandelwal, P; Malley, MF; Pang, J; Rose, AV; Santella, JB; Sarjeant, AA; Xu, S; Mathur, A; Mandlekar, S; Vuppugalla, R; Zhao, Q; Carter, PH Discovery of BMS-753426: A Potent Orally Bioavailable Antagonist of CC Chemokine Receptor 2. ACS Med Chem Lett 12:969-975 (2021) [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:
BDBM50509860
Synonyms:
CHEMBL4442783
Type:
Small organic molecule
Emp. Form.:
C25H33F3N6O2
Mol. Mass.:
506.5637
SMILES:
CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: