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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	CHEMBL61426
Molecular formula	C24H23F3N2O2
IUPAC name	1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-[4-(trifluoromethoxy)phenyl]pyridin-2-one
Molecular weight	428.455
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.3
Synonyms	1-(1-Phenyl-2-pyrrolizinoethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-2-one 1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluoromethoxy-phenyl)-1H-pyridin-2-one BDBM50108444
Inchi Key	AIGBFJAZWRJQLT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23F3N2O2/c25-24(26,27)31-20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
PubChem CID	44302993
ChEMBL	CHEMBL61426
IUPHAR	N/A
BindingDB	50108444
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	34.0 nM	PMID11755353	BindingDB
IC50	34.2 nM	PMID11755353	ChEMBL

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