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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	CHEMBL70226
Molecular formula	C20H20Cl2N2O3
IUPAC name	1-[[5-[2-(3,4-dichlorophenyl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-4-yl]methyl]pyrrolidin-3-one
Molecular weight	407.291
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.8
Synonyms	1-{5-[2-(3,4-Dichloro-phenyl)-acetyl]-4,5,6,7-tetrahydro-furo[3,2-c]pyridin-4-ylmethyl}-pyrrolidin-3-one SCHEMBL9636800 BDBM50039099 L003818
Inchi Key	AJKUPPVEURAWOP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20Cl2N2O3/c21-16-2-1-13(9-17(16)22)10-20(26)24-7-4-19-15(5-8-27-19)18(24)12-23-6-3-14(25)11-23/h1-2,5,8-9,18H,3-4,6-7,10-12H2
PubChem CID	14933785
ChEMBL	CHEMBL70226
IUPHAR	N/A
BindingDB	50039099
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	6.0 nM	PMID8035420	BindingDB,ChEMBL

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