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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	CHEMBL279968
Molecular formula	C19H25NO2
IUPAC name	(1S,13R)-10-(cyclopropylmethyl)-1-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
Molecular weight	299.414
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.0
Synonyms	(6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one (ethylketocyclazocine) ETHYLKETOCYCLAZOCINE BDBM50000091 (6S,11R)-3-Cyclopropylmethyl-9-hydroxy-6,11-dimethyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one EKC 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one(Ethylketazocine, EKC) SCHEMBL12013196 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one EKC(-) [ Show all ]
Inchi Key	SEJUQQOPVAUETF-BKBNBNODSA-N
Inchi ID	InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
PubChem CID	44273397
ChEMBL	CHEMBL279968
IUPHAR	N/A
BindingDB	50000091
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Dose ratio	28.5 -	PMID1310115	ChEMBL
Ki	0.1 nM	PMID9686407	BindingDB
Ki	0.17 nM	PMID12593663	ChEMBL
Ki	0.57 nM	PMID2832603	ChEMBL
Ki	0.57 nM	PMID2832603	BindingDB
Ki	0.62 nM	PMID11591513, PMID11266156, PMID10633042, PMID12749896	BindingDB
Ki	0.62 nM	PMID12749896, PMID12593663, PMID11591513, PMID11266156, PMID10633042, PMID14695830	BindingDB,ChEMBL
Ki	73.0 nM	PMID12593663	BindingDB,ChEMBL
Ratio	5.0 -	PMID12593663	ChEMBL
Ratio	6.0 -	PMID12593663	ChEMBL
Ratio	18.0 -	PMID12593663	ChEMBL

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