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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Kappa-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRK1
Synonym	K-OR-1 KOPr OP2 KOP KOR-1 Kappa receptor [ Show all ]
Disease	Obesity Opiate dependence Inflammatory bowel disease Erythema Diarrhea-predominant IBS Unspecified Bipolar disorder Alcohol use disorders Pain Substance dependence Neurodegenerative disease [ Show all ]
Length	380
Amino acid sequence	MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProt	P41145
Protein Data Bank	6b73, 4djh
GPCR-HGmod model	P41145
3D structure model	This structure is from PDB ID 6b73.
BioLiP	BL0402244,BL0402246, BL0224693,BL0224694, BL0402243,BL0402245
Therapeutic Target Database	T60693
ChEMBL	CHEMBL237
IUPHAR	318
DrugBank	BE0000632

Ligand

Name	Naloxone(-)
Molecular formula	C19H21NO4
IUPAC name	4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight	327.38
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.1
Synonyms	CAS_465-65-6 Morphinan-6-one, 4,5.alpha.-epoxy-3,14-dihydroxy-17-(2-propenyl)- UZHSEJADLWPNLE-UHFFFAOYSA-N 4aH-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5(6H)-one, N-allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy- L000674 Narcan (Salt/Mix) BDBM86260 Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)-, (5.alpha.)- Oprea1_030545 12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furan-5-one CHEBI:91663 Nalone (Salt/Mix) MCULE-7816779766 Normorphinone, N-allyl-dihydro-14-hydroxy- BRD-A37541666-003-01-6 Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5.alpha.)- SCHEMBL10031249 17-Allyl-4,5-.alpha.-epoxy-3,14-dihydroxymorphinan-6-one CHEMBL609673 AC1L1I51 Morphinan-6-one, 17-allyl-4,5.alpha.-epoxy-3,14-dihydroxy- NSC_10064 [ Show all ]
Inchi Key	UZHSEJADLWPNLE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2
PubChem CID	4425
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86260
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.1 nM	PMID17407276	PDSP
Ki	1.2 nM	PMID19027293	PDSP
Ki	2.3 nM	PMID8114680	PDSP
Ki	2.5 nM	PMID9686407	PDSP
Ki	3.0 nM	PMID20055417	PDSP
Ki	9.2 nM	PMID18313920	PDSP
Ki	9.2 nM	PMID18313920	BindingDB
Ki	10.7 nM	PMID12747782	PDSP
Ki	14.7 nM	PMID20441176	PDSP
Ki	49.8 nM	PMID12747782	PDSP

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