Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50160676
Substrate
n/a
Meas. Tech.
ChEMBL_306465 (CHEMBL829542)
IC50
28±n/a nM
Citation
 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Synthesis and evaluation of CCR5 antagonists containing modified 4-piperidinyl-2-phenyl-1-(phenylsulfonylamino)-butane. Bioorg Med Chem Lett 15:977-82 (2005) [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:
BDBM50160676
Synonyms:
CHEMBL182188 | N-Methyl-N-[(S)-2-methyl-4-(1-methyl-2-oxo-octahydro-[1,6]naphthyridin-6-yl)-2-phenyl-butyl]-benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C27H37N3O3S
Mol. Mass.:
483.666
SMILES:
CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2C)C1)c1ccccc1)S(=O)(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: