Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50185970
Substrate
n/a
Meas. Tech.
ChEMBL_351942 (CHEMBL870788)
IC50
4.6±n/a nM
Citation
 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Discovery of a piperidine-4-carboxamide CCR5 antagonist (TAK-220) with highly potent Anti-HIV-1 activity. J Med Chem 49:2784-93 (2006) [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:
BDBM50185970
Synonyms:
CHEMBL207301 | methyl 4-({1-[3-((3,4-Dichlorophenyl){[1-(methylsulfonyl)-piperidin-4-yl]carbonyl}amino)propyl]piperidin-4-yl}methyl)-benzoate
Type:
Small organic molecule
Emp. Form.:
C30H39Cl2N3O5S
Mol. Mass.:
624.619
SMILES:
COC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
Structure:
Search PDB for entries with ligand similarity: