Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50185969
Substrate
n/a
Meas. Tech.
ChEMBL_351942 (CHEMBL870788)
IC50
5.1±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:
BDBM50185969
Synonyms:
CHEMBL264832 | N-(3,4-dichlorophenyl)-N-(3-{4-[4-(methylcarbamoyl)benzyl]-piperidin-1-yl}propyl)-1-(methylsulfonyl)piperidine-4-carboxamide
Type:
Small organic molecule
Emp. Form.:
C30H40Cl2N4O4S
Mol. Mass.:
623.634
SMILES:
CNC(=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: