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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	MLS000057767
Molecular formula	C15H10ClN3O2
IUPAC name	4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Molecular weight	299.714
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.2
Synonyms	HMS2166H13 SMR000061562 BDBM60214 MLS-0040589.0001 4-chloranyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide cid_805087 Oprea1_068177 AC1LFLUY HMS3322J07 ZINC314277 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide F1374-0845 Oprea1_851308 AKOS001020587 MCULE-7317331559 CHEMBL1557648 MolPort-001-889-860 [ Show all ]
Inchi Key	YZLBFDGNVDNPIB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
PubChem CID	805087
ChEMBL	CHEMBL1557648
IUPHAR	N/A
BindingDB	60214
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	6880.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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