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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	Cavia porcellus (Guinea pig)
Gene	OPRK1
Synonym	K-OR-1 KOR-1
Disease	N/A for non-human GPCRs
Length	380
Amino acid sequence	MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProt	P41144
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3952
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL57879
Molecular formula	C16H23NO2
IUPAC name	9-(hydroxymethyl)-1-methyl-10-(methylamino)tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight	261.365
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.7
Synonyms	BDBM50050480 9-Hydroxymethyl-1-methyl-10-methylamino-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol
Inchi Key	HBHHFUIZPMLGCC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H23NO2/c1-15-6-5-14(17-2)16(9-15,10-18)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,17-19H,5-6,8-10H2,1-2H3
PubChem CID	44301653
ChEMBL	CHEMBL57879
IUPHAR	N/A
BindingDB	50050480
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	440.0 nM	PMID8642554	BindingDB,ChEMBL
Ki	650.0 nM	PMID8642554	ChEMBL

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