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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	CHEMBL2315359
Molecular formula	C27H37ClN2O5
IUPAC name	(E)-3-(furan-3-yl)-N-methyl-N-[3-[(1S,9R,13S)-3,4,13-trihydroxy-10-(2-methylpropyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]propyl]prop-2-enamide;hydrochloride
Molecular weight	505.052
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	None
Synonyms	N/A
Inchi Key	DGLMDKGCPUGHSM-MZQOZTLGSA-N
Inchi ID	InChI=1S/C27H36N2O5.ClH/c1-18(2)16-29-13-9-21-25-20(6-7-22(30)26(25)32)15-23(29)27(21,33)11-4-12-28(3)24(31)8-5-19-10-14-34-17-19;/h5-8,10,14,17-18,21,23,30,32-33H,4,9,11-13,15-16H2,1-3H3;1H/b8-5+;/t21-,23+,27-;/m0./s1
PubChem CID	71719794
ChEMBL	CHEMBL2315359
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	8.071 nM	PMID23200250	ChEMBL
Emax	99.53 %	PMID23200250	ChEMBL

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