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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	SMR000064011
Molecular formula	C13H10N2O2S2
IUPAC name	N-quinolin-5-ylthiophene-2-sulfonamide
Molecular weight	290.355
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.7
Synonyms	BDBM37678 N-quinolin-5-ylthiophene-2-sulfonamide cid_2082094 SR-01000617010-2 AC1M0RHL N-(5-quinolinyl)-2-thiophenesulfonamide HMS2428G13 AKOS027648697 N-(5-quinolyl)thiophene-2-sulfonamide CHEMBL1343705 SR-01000617010 MLS000057468 [ Show all ]
Inchi Key	ANEULYGKZNTCEI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H10N2O2S2/c16-19(17,13-7-3-9-18-13)15-12-6-1-5-11-10(12)4-2-8-14-11/h1-9,15H
PubChem CID	2082094
ChEMBL	CHEMBL1343705
IUPHAR	N/A
BindingDB	37678
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	<32000.0 nM	PubChem BioAssay data set	ChEMBL
IC50	2640.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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