Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50306033
Substrate
n/a
Meas. Tech.
ChEMBL_1732906 (CHEMBL4148442)
IC50
0.250000±n/a nM
Citation
 Shah, HR; Savjani, JK Recent updates for designing CCR5 antagonists as anti-retroviral agents. Eur J Med Chem 147:115-129 (2018) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 5
Synonyms:
C-C CKR-5 | CC-CKR-5 | CCR-5 | CCR5_MOUSE | CD_antigen=CD195 | Ccr5 | Cmkbr5 | MIP-1 alpha receptor
Type:
PROTEIN
Mol. Mass.:
40803.93
Organism:
Mus musculus
Description:
ChEMBL_49996
Residue:
354
Sequence:
MDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL
  
Inhibitor
Name:
BDBM50306033
Synonyms:
Cenicriviroc | TAK-652 | TBR-652
Type:
Small organic molecule
Emp. Form.:
C41H52N4O4S
Mol. Mass.:
696.941
SMILES:
CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC\C(=C/c2c1)C(=O)Nc1ccc(cc1)[S@@+]([O-])Cc1cncn1CCC |r,c:27|
Structure:
Search PDB for entries with ligand similarity: