Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM84215
Substrate
n/a
EC50
188±n/a nM
Citation
 PubChem, PC Counter screen for HTS for Beta-2AR agonists with FAP-tagged human CCR5 with Powderset2 PubChem Bioassay (2012)[AID] 
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:
BDBM84215
Synonyms:
4-[[1-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenoxy]ethyl]amino]benzoic acid ethyl ester | 4-[[2-(4-pyrrolidinosulfonylphenoxy)acetyl]amino]benzoic acid ethyl ester | 4-{2-[4-(Pyrrolidine-1-sulfonyl)-phenoxy]-acetylamino}-benzoic acid ethyl ester | MLS000124088 | SMR000124597 | cid_1084214 | ethyl 4-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanoylamino]benzoate | ethyl 4-[[2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzoate
Type:
Small organic molecule
Emp. Form.:
C21H24N2O6S
Mol. Mass.:
432.49
SMILES:
CCOC(=O)c1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: