Reaction Details Report a problem with these data
Target
Mu-type opioid receptor
Ligand
BDBM50201414
Substrate
n/a
Meas. Tech.
ChEMBL_441424 (CHEMBL891657)
Ki
792±n/a nM
Citation
 Liu, H; Zhang, B; Liu, X; Wang, C; Ni, J; Wang, R Endomorphin-1 analogs with enhanced metabolic stability and systemic analgesic activity: design, synthesis, and pharmacological characterization. Bioorg Med Chem 15:1694-702 (2007) [PubMed]  Article 
Target
Name:
Mu-type opioid receptor
Synonyms:
MOR-1 | MUOR1 | Mu-type opioid receptor (MOR) | OPIATE Mu | OPRM_RAT | Opiate non-selective | Opioid receptor B | Oprm1 | Ror-b
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
44503.11
Organism:
Rattus norvegicus (rat)
Description:
Competition binding assays were carried out using membrane preparations from transfected HN9.10 cells that constitutively expressed the mu opioid receptor.
Residue:
398
Sequence:
MDSSTGPGNTSDCSDPLAQASCSPAPGSWLNLSHVDGNQSDPCGLNRTGLGGNDSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRVRQNTREHPSTANTVDRTNHQLENLEAETAPLP
  
Inhibitor
Name:
BDBM50201414
Synonyms:
CHEMBL390271 | N alpha-amidino-Tyr(Me)-Pro-Trp-Phe-NH2
Type:
Small organic molecule
Emp. Form.:
C36H42N8O5
Mol. Mass.:
666.7693
SMILES:
COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.45,-11.1,;-3.45,-12.64,;-2.12,-13.41,;-.78,-12.64,;.55,-13.41,;.54,-14.95,;1.87,-15.72,;1.87,-17.26,;.54,-18.03,;.54,-19.57,;-.79,-20.34,;1.87,-20.34,;3.21,-18.03,;3.21,-19.57,;4.54,-17.26,;4.7,-15.73,;6.21,-15.42,;6.98,-16.76,;5.94,-17.9,;6.26,-19.4,;5.11,-20.44,;7.72,-19.89,;8.03,-21.4,;6.87,-22.42,;7.18,-23.93,;8.64,-24.42,;8.41,-26.1,;6.9,-26.4,;6.13,-27.71,;4.61,-27.7,;3.85,-26.37,;4.63,-25.05,;6.15,-25.07,;9.49,-21.89,;10.64,-20.87,;9.79,-23.4,;11.25,-23.89,;12.41,-22.87,;13.87,-23.36,;14.17,-24.87,;15.63,-25.36,;16.78,-24.34,;16.47,-22.82,;15.01,-22.34,;11.56,-25.4,;10.41,-26.43,;13.02,-25.89,;-.78,-15.72,;-2.11,-14.96,)|
Structure:
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