Reaction Details
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Kappa-type opioid receptor
Ligand
BDBM50252860
Substrate
n/a
Meas. Tech.
ChEMBL_534709 (CHEMBL982798)
Ki
0.823±n/a nM
Citation
Ghosh, A; Luo, J; Liu, C; Weltrowska, G; Lemieux, C; Chung, NN; Lu, Y; Schiller, PW Novel opioid peptide derived antagonists containing (2S)-2-methyl-3-(2,6-dimethyl-4-carbamoylphenyl)propanoic acid [(2S)-Mdcp]. J Med Chem 51:5866-70 (2008) [PubMed] Article More Info.:
Target
Name:
Kappa-type opioid receptor
Synonyms:
Kappa Opioid Receptor | OPIATE Kappa | OPRK1 | OPRK_CAVPO | Opiate Kappa 1 | mu/kappa opioid receptor
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42744.99
Organism:
Cavia porcellus (domestic guinea pig)
Description:
P41144
Residue:
380
Sequence:
MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
Inhibitor
Name:
BDBM50252860
Synonyms:
(S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-guanidino-2-((2S,3S)-2-((S)-5-guanidino-2-((S)-5-guanidino-2-((S)-2-((S)-2-(2-(2-((S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-methylpropanamido)acetamido)acetamido)-3-phenylpropanamido)-4-methylpentanamido)pentanamido)pentanamido)-3-methylpentanamido)pentanoyl)pyrrolidine-2-carboxamide | CHEMBL506821 | [(2S)-Mdp1]Dyn A(1-11)-NH2
Type:
Small organic molecule
Emp. Form.:
C66H109N21O12
Mol. Mass.:
1388.7052
SMILES:
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Structure:
