Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50322278
Substrate
n/a
Meas. Tech.
ChEMBL_642602 (CHEMBL1176491)
IC50
86±n/a nM
Citation
 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Discovery of orally available spirodiketopiperazine-based CCR5 antagonists. Bioorg Med Chem 18:5208-23 (2010) [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:
BDBM50322278
Synonyms:
(3S)-1-Butyl-3-(cyclohexylmethyl)-9-[4-(phenylsulfonyl)-benzyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride | CHEMBL1171069
Type:
Small organic molecule
Emp. Form.:
C32H43N3O4S
Mol. Mass.:
565.767
SMILES:
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(cc2)S(=O)(=O)c2ccccc2)CC1 |r|
Structure:
Search PDB for entries with ligand similarity: