Reaction Details Report a problem with these data
Target
Mu-type opioid receptor
Ligand
BDBM50586122
Substrate
n/a
Meas. Tech.
ChEMBL_2164701 (CHEMBL5049562)
EC50
1.3±n/a nM
Citation
 Pagare, PP; Li, M; Zheng, Y; Kulkarni, AS; Obeng, S; Huang, B; Ruiz, C; Gillespie, JC; Mendez, RE; Stevens, DL; Poklis, JL; Halquist, MS; Dewey, WL; Selley, DE; Zhang, Y Design, Synthesis, and Biological Evaluation of NAP Isosteres: A Switch from Peripheral to Central Nervous System Acting Mu-Opioid Receptor Antagonists. J Med Chem 65:5095-5112 (2022) [PubMed]  Article 
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:
BDBM50586122
Synonyms:
CHEMBL5090637
Type:
Small organic molecule
Emp. Form.:
C27H33ClN2O5
Mol. Mass.:
501.014
SMILES:
Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccco1)ccc3O |r,THB:10:9:17:6.5.7|
Structure:
Search PDB for entries with ligand similarity: