Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50124960
Substrate
n/a
Meas. Tech.
ChEBML_39654
Ki
11±n/a nM
Citation
 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Oximino-piperidino-piperidine-based CCR5 antagonists. Part 2: synthesis, SAR and biological evaluation of symmetrical heteroaryl carboxamides. Bioorg Med Chem Lett 13:709-12 (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:
BDBM50124960
Synonyms:
(4-{(4-Bromo-phenyl)-[(E)-cyclopropylmethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone | CHEMBL344435
Type:
Small organic molecule
Emp. Form.:
C29H38BrN5O2
Mol. Mass.:
568.548
SMILES:
Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC1CC1)\c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: