Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50124944
Substrate
n/a
Meas. Tech.
ChEMBL_39639 (CHEMBL649945)
Ki
43±n/a nM
Citation
 Debnath, AK Generation of predictive pharmacophore models for CCR5 antagonists: study with piperidine- and piperazine-based compounds as a new class of HIV-1 entry inhibitors. J Med Chem 46:4501-15 (2003) [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:
BDBM50124944
Synonyms:
(4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-isopropyl-4,6-dimethyl-pyrimidin-5-yl)-methanone | CHEMBL139701
Type:
Small organic molecule
Emp. Form.:
C30H42BrN5O2
Mol. Mass.:
584.591
SMILES:
CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(C)C)c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: