Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50062981
Substrate
n/a
Meas. Tech.
ChEMBL_1463301 (CHEMBL3399528)
IC50
906±n/a nM
Citation
 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Design, synthesis, and biological evaluation of novel 2-methylpiperazine derivatives as potent CCR5 antagonists. Bioorg Med Chem 23:1157-68 (2015) [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:
BDBM50062981
Synonyms:
CHEMBL3397998
Type:
Small organic molecule
Emp. Form.:
C30H40ClFN4O2
Mol. Mass.:
543.116
SMILES:
CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCCN(Cc2ccc(F)cc2)CC1)c1ccc(C)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: