Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50189397
Substrate
n/a
Meas. Tech.
ChEMBL_395088 (CHEMBL869857)
IC50
20±n/a nM
Citation
 Price, DA; Armour, D; de Groot, M; Leishman, D; Napier, C; Perros, M; Stammen, BL; Wood, A Overcoming HERG affinity in the discovery of the CCR5 antagonist maraviroc. Bioorg Med Chem Lett 16:4633-7 (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:
BDBM50189397
Synonyms:
(S)-N-(3-(4-(5-benzyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide | CHEMBL213541
Type:
Small organic molecule
Emp. Form.:
C28H34N4O2
Mol. Mass.:
458.5952
SMILES:
O=C(N[C@@H](CCN1CCC(CC1)c1noc(Cc2ccccc2)n1)c1ccccc1)C1CCC1
Structure:
Search PDB for entries with ligand similarity: