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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	Morphinan-3,6.alpha.-diol, 7,8-didehydro-4,5.alpha.-epoxy-17-methyl-
Molecular formula	C17H19NO3
IUPAC name	3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular weight	285.343
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	0.8
Synonyms	(5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol BDBM86258 SCHEMBL10031250 4-methyl-12-oxa-4-azapentacyclo[9.6.1.0;{1,13}.0;{5,17}.0;{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol Kadain AC1L1HQY BQJCRHHNABKAKU-UHFFFAOYSA-N 5,7a,8,9-Tetrahydro-12-methyl-4aH-8,9c-(iminoethano)phenanthro[4,5-bcd]furan-3,5-diol L000799 AC1Q7AUG NSC_5980 17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol CAS_23552-18-3 Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5.alpha.,6.alpha.)- [ Show all ]
Inchi Key	BQJCRHHNABKAKU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
PubChem CID	4253
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86258
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	6.9 nM	PMID19932964	PDSP
Ki	46.9 nM	PMID9686407	PDSP
Ki	46.9 nM	PMID17887741	PDSP
Ki	65.5 nM	PMID18311899	BindingDB
Ki	134.0 nM	PMID15054115	PDSP,BindingDB
Ki	538.0 nM	PMID8114680	PDSP

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