Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50252442
Substrate
n/a
Meas. Tech.
ChEBML_1684933
EC50
>10.0±n/a nM
Citation
 Thum, S; Kokornaczyk, AK; Seki, T; De Maria, M; Ortiz Zacarias, NV; de Vries, H; Weiss, C; Koch, M; Schepmann, D; Kitamura, M; Tschammer, N; Heitman, LH; Junker, A; Wünsch, B Synthesis and biological evaluation of chemokine receptor ligands with 2-benzazepine scaffold. Eur J Med Chem 135:401-413 (2017) [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:
BDBM50252442
Synonyms:
CHEMBL4089329
Type:
Small organic molecule
Emp. Form.:
C29H38N4O5S
Mol. Mass.:
554.701
SMILES:
CC(C)CN1CC(=Cc2ccc(NS(C)(=O)=O)cc2C1=O)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1 |c:6|
Structure:
Search PDB for entries with ligand similarity: