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Target
Kappa-type opioid receptor
Ligand
BDBM50049560
Substrate
n/a
Meas. Tech.
ChEMBL_146390 (CHEMBL753186)
Ki
5.8±n/a nM
Citation
 Bolognesi, ML; Ojala, WH; Gleason, WB; Griffin, JF; Farouz-Grant, F; Larson, DL; Takemori, AE; Portoghese, PS Opioid antagonist activity of naltrexone-derived bivalent ligands: importance of a properly oriented molecular scaffold to guide"address" recognition at kappa opioid receptors. J Med Chem 39:1816-22 (1996) [PubMed]  Article 
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:
BDBM50049560
Synonyms:
(4S,5'R,13'R,17'S)-2-[(5R,13R,14R,17S)-14-amino-4- (cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4- azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca- 7(18),8,10-trien-14-yl]-4'-(cyclopropylmethyl)- 10',17'-dihydroxy-3,5-dihydro-12'-oxa-4'- azaspiro[imidazole-4,14'- pentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadecane]- 7',9',11'(18')-trien-5-one | CHEMBL298574
Type:
Small organic molecule
Emp. Form.:
C42H49N5O7
Mol. Mass.:
735.8678
SMILES:
N[C@]1(CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C1=N[C@]2(CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)C(=O)N1 |t:31,TLB:46:45:30:50.34.33,20:19:4:24.8.7|
Structure:
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