Reaction Details
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Kappa-type opioid receptor
Ligand
BDBM50297347
Substrate
n/a
Meas. Tech.
ChEMBL_583151 (CHEMBL1062530)
EC50
23±n/a nM
Citation
Fang, WJ; Cui, Y; Murray, TF; Aldrich, JV Design, synthesis, and pharmacological activities of dynorphin A analogues cyclized by ring-closing metathesis. J Med Chem 52:5619-25 (2009) [PubMed] Article More Info.:
Target
Name:
Kappa-type opioid receptor
Synonyms:
KOR-1 | Kappa Opioid Receptor | OPIATE Kappa | OPRK_RAT | Opioid receptor | Oprk1 | Ror-d
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42692.90
Organism:
Rattus norvegicus (rat)
Description:
P34975
Residue:
380
Sequence:
MESPIQIFRGEPGPTCAPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAVLSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
Inhibitor
Name:
BDBM50297347
Synonyms:
(2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)acetamido)-3-phenylpropanamido)-N-((S)-1-((S)-2-((S)-1,6-diamino-1-oxohexan-2-ylcarbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)-2,5-bis(3-guanidinopropyl)-3,6,14-trioxo-1,4,7-triazacyclotetradec-10-ene-8-carboxamide | CHEMBL555959 | CHEMBL564095
Type:
Small organic molecule
Emp. Form.:
C59H92N22O12
Mol. Mass.:
1301.502
SMILES:
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1)-[#6](-[#7])=O |r,w:30.31|
Structure:
