Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM160934
Substrate
n/a
Meas. Tech.
Flux Assay
IC50
14.2±n/a nM
Citation
 Zhang, Y; Hauser, KF; Selley, DE Bivalent ligands for the treatment of neurological disorders US Patent  US9107954 Publication Date 8/18/2015 
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:
BDBM160934
Synonyms:
US9107954, 4
Type:
Small organic molecule
Emp. Form.:
C35H52F2N6O3
Mol. Mass.:
642.8226
SMILES:
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COC(C)(C)C)cc1 |r,TLB:17:16:12.13:15.10.9,THB:8:9:16:12.13|
Structure:
Search PDB for entries with ligand similarity: