Reaction Details Report a problem with these data
Target
Mu-type opioid receptor
Ligand
BDBM50408813
Substrate
n/a
Meas. Tech.
ChEMBL_2267986
Ki
2.0±n/a nM
Citation
 Huang, H; Li, X; Xie, P; Li, X; Xu, X; Qian, Y; Yuan, C; Meng, X; Chai, J; Chen, J; Liu, J; Wang, W; Li, W; Wang, Y; Fu, W; Liu, J Discovery, Structure-Activity Relationship, and Mechanistic Studies of 1-((3 J Med Chem 64:9458-9483 (2021) [PubMed] 
Target
Name:
Mu-type opioid receptor
Synonyms:
M-OR-1 | MOR-1 | Mor | OPIATE Mu | OPRM_MOUSE | Opioid receptors; mu and delta | Oprm | Oprm1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44431.62
Organism:
MOUSE
Description:
OPIATE Mu OPRM1 MOUSE::P42866
Residue:
398
Sequence:
MDSSAGPGNISDCSDPLAPASCSPAPGSWLNLSHVDGNQSDPCGPNRTGLGGSHSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGNILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSARIRQNTREHPSTANTVDRTNHQLENLEAETAPLP
  
Inhibitor
Name:
BDBM50408813
Synonyms:
CHEMBL5273356
Type:
Small organic molecule
Emp. Form.:
C22H25F3N2O3
Mol. Mass.:
422.4407
SMILES:
CN(C)CC1CN(CCC1(O)c1cccc(O)c1)C(=O)Cc1cc(F)c(F)cc1F
Structure:
Search PDB for entries with ligand similarity: