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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Kappa-type opioid receptor
Species	Cavia porcellus (Guinea pig)
Gene	OPRK1
Synonym	K-OR-1 KOR-1
Disease	N/A for non-human GPCRs
Length	380
Amino acid sequence	MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProt	P41144
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3952
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL1256748
Molecular formula	C22H32N2O2
IUPAC name	N-methyl-2-phenyl-N-[(5S,7S,8S)-8-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-7-yl]acetamide
Molecular weight	356.51
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.0
Synonyms	BDBM50381677
Inchi Key	PGJPPWQHDNODBR-JAXLGGSGSA-N
Inchi ID	InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
PubChem CID	52947240
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50381677
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2.1 nM	PMID7853350, PMID8071934	BindingDB
Kd	4.3 nM	PMID2845084	BindingDB
Ki	0.7 nM	PMID16777416	BindingDB
Ki	0.88 nM	PMID24856182	BindingDB
Ki	0.97 nM	PMID20441176, PMID25062506	BindingDB
Ki	1.1 nM	PMID1361580	BindingDB
Ki	1.4 nM	PMID25248680, PMID23200250	BindingDB
Ki	1.9 nM	PMID12930147	BindingDB
Ki	4.8 nM	PMID14998329	BindingDB

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