Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50115513
Substrate
n/a
Meas. Tech.
ChEMBL_39639 (CHEMBL649945)
Ki
110±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:
BDBM50115513
Synonyms:
(2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-methyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone | CHEMBL110786
Type:
Small organic molecule
Emp. Form.:
C28H38N2O
Mol. Mass.:
418.6141
SMILES:
Cc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1
Structure:
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