Reaction Details Report a problem with these data
Target
Mu-type opioid receptor
Ligand
BDBM50155102
Substrate
n/a
Meas. Tech.
ChEBML_302753
Ki
14±n/a nM
Citation
 Coats, SJ; Schulz, MJ; Carson, JR; Codd, EE; Hlasta, DJ; Pitis, PM; Stone, DJ; Zhang, SP; Colburn, RW; Dax, SL Parallel methods for the preparation and SAR exploration of N-ethyl-4-[(8-alkyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-aryl-methyl]-benzamides, powerful mu and delta opioid agonists. Bioorg Med Chem Lett 14:5493-8 (2004) [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:
BDBM50155102
Synonyms:
1N,1N-dimethyl-4-{4-ethylcarbamoylphenyl[8-(2-pyridylmethyl)-(1R,5S)-8-azabicyclo[3.2.1]oct-3-yliden]methyl}benzamide | CHEMBL362332
Type:
Small organic molecule
Emp. Form.:
C32H36N4O2
Mol. Mass.:
508.6538
SMILES:
CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccccn1)\c1ccc(cc1)C(=O)N(C)C |THB:20:19:12.18.13:16.15|
Structure:
Search PDB for entries with ligand similarity: