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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.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL181545
Molecular formula	C27H43N3O4S
IUPAC name	tert-butyl 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]acetate
Molecular weight	505.718
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.9
Synonyms	BDBM50153122 {1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2,2-dioxo-1,4-dihydro-2H-2lambda6-benzo[1,2,6]thiadiazin-3-yl}-acetic acid tert-butyl ester
Inchi Key	ARSNLQCMDVFQDA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H43N3O4S/c1-20(2)21-10-12-23(13-11-21)28-16-14-24(15-17-28)30-25-9-7-6-8-22(25)18-29(35(30,32)33)19-26(31)34-27(3,4)5/h6-9,20-21,23-24H,10-19H2,1-5H3
PubChem CID	44394405
ChEMBL	CHEMBL181545
IUPHAR	N/A
BindingDB	50153122
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<2000.0 nM	PMID15380196	BindingDB,ChEMBL

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