Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50412765
Substrate
n/a
Meas. Tech.
ChEMBL_539133 (CHEMBL1023810)
IC50
19952.62±n/a nM
Citation
 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M Discovery of bioavailable 4,4-disubstituted piperidines as potent ligands of the chemokine receptor 5 and inhibitors of the human immunodeficiency virus-1. J Med Chem 51:6538-46 (2008) [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:
BDBM50412765
Synonyms:
CHEMBL453404
Type:
Small organic molecule
Emp. Form.:
C34H44Cl2N4O2
Mol. Mass.:
611.645
SMILES:
Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCCC1(CCN(CC1)C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 |r,TLB:9:10:17:13.14|
Structure:
Search PDB for entries with ligand similarity: