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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	CHEMBL3409110
Molecular formula	C29H32FNO2
IUPAC name	(4aS,9aR)-2-[2-(4-fluorophenyl)ethyl]-4a-(4-phenylbutyl)-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridin-6-ol
Molecular weight	445.578
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	7.1
Synonyms	BDBM50072345
Inchi Key	AAGKZYYLJCIWKQ-VMPREFPWSA-N
Inchi ID	InChI=1S/C29H32FNO2/c30-24-11-9-23(10-12-24)15-18-31-19-17-29(16-5-4-8-22-6-2-1-3-7-22)26-20-25(32)13-14-27(26)33-28(29)21-31/h1-3,6-7,9-14,20,28,32H,4-5,8,15-19,21H2/t28-,29-/m0/s1
PubChem CID	118731415
ChEMBL	CHEMBL3409110
IUPHAR	N/A
BindingDB	50072345
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
ED50	<1500.0 nM	PMID25599950	ChEMBL
Ki	147.0 nM	PMID25599950	BindingDB,ChEMBL

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