Reaction Details Report a problem with these data
Target
Mu-type opioid receptor
Ligand
BDBM50201412
Substrate
n/a
Meas. Tech.
ChEMBL_441424 (CHEMBL891657)
Ki
538±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:
BDBM50201412
Synonyms:
CHEMBL243189 | N alpha-amidino-Tyr(Me)-Pro-Trp-p-Cl-Phe-NH2
Type:
Small organic molecule
Emp. Form.:
C36H41ClN8O5
Mol. Mass.:
701.214
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](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.1,6.43,;-3.1,4.89,;-1.77,4.12,;-.43,4.89,;.9,4.12,;.89,2.59,;2.22,1.81,;2.22,.27,;.89,-.49,;.89,-2.03,;-.44,-2.8,;2.22,-2.81,;3.56,-.5,;3.56,-2.04,;4.89,.27,;5.05,1.8,;6.56,2.11,;7.33,.78,;6.29,-.37,;6.61,-1.87,;5.46,-2.9,;8.07,-2.36,;8.38,-3.87,;7.22,-4.89,;7.53,-6.4,;8.99,-6.89,;8.76,-8.57,;7.25,-8.86,;6.48,-10.18,;4.96,-10.17,;4.2,-8.84,;4.98,-7.52,;6.5,-7.53,;9.84,-4.36,;10.99,-3.34,;10.14,-5.87,;11.6,-6.36,;12.76,-5.34,;14.22,-5.83,;14.52,-7.34,;15.98,-7.83,;17.13,-6.81,;18.59,-7.29,;16.82,-5.29,;15.36,-4.81,;11.91,-7.87,;10.76,-8.89,;13.37,-8.36,;-.43,1.81,;-1.76,2.58,)|
Structure:
Search PDB for entries with ligand similarity: