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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	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	Hydromorphine
Molecular formula	C17H21NO3
IUPAC name	3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular weight	287.359
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.8
Synonyms	AC1L6SLS Morphine, dihydro- (5.alpha.,6.alpha.)-4,5-Epoxy-17-methylmorphinan-3,6-diol Morphinan-3, 4,5-epoxy-17-methyl-, (5.alpha.,6.alpha.)- NSC_273032 6.alpha.-Hydromorphol Dihydromorfin Morphinan-3,6.alpha.-diol, 4,5.alpha.-epoxy-17-methyl- SCHEMBL6123637 BDBM86518 IJVCSMSMFSCRME-UHFFFAOYSA-N NSC-117865 CHEMBL608541 Morphinan-3, 4,5.alpha.-epoxy-17-methyl- Paramorfan FT-0667072 Morphine, 7,8-dihydro- WLN: T B6566 B6/CO 4ABBC R BX HO PN GHT&&TTJ FQ JQ P1 CAS_509-60-4 L000955 NSC117865 .alpha.-Dihydromorphine DIHYDROBROMORPHINE Morphinan-3,6-diol, 4,5-epoxy-17-methyl-, (5.alpha.,6.alpha.)- Paramorphan [ Show all ]
Inchi Key	IJVCSMSMFSCRME-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3
PubChem CID	273032
ChEMBL	CHEMBL608541
IUPHAR	N/A
BindingDB	86518
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	83.8 nM	PMID9686407	PDSP

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