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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.
Go to the GPCR page and check other ligands which interact with it.
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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	AC1O3J72
Molecular formula	C17H14N2O3S2
IUPAC name	2-methoxy-4-[(Z)-[4-oxo-3-(phenylazaniumyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate
Molecular weight	358.43
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.1
Synonyms	2-methoxy-4-[(Z)-[4-oxo-3-(phenylazaniumyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate MolPort-000-742-365 2-methoxy-4-{(Z)-[4-oxo-3-(phenylammonio)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenolate AKOS005747459 STL147690
Inchi Key	FDFHGZDQTBXWIJ-GDNBJRDFSA-N
Inchi ID	InChI=1S/C17H14N2O3S2/c1-22-14-9-11(7-8-13(14)20)10-15-16(21)19(17(23)24-15)18-12-5-3-2-4-6-12/h2-10,18,20H,1H3/b15-10-
PubChem CID	6282363
ChEMBL	CHEMBL1605583
IUPHAR	N/A
BindingDB	48081
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<32000.0 nM	PubChem BioAssay data set	ChEMBL
IC50	8410.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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