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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	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	CHEMBL287726
Molecular formula	C16H23NO
IUPAC name	3-[(9S)-2,9-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol
Molecular weight	245.366
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50000571 SCHEMBL6288108 3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol
Inchi Key	JBSRPCWYMOJXAM-UWTIGNOOSA-N
Inchi ID	InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
PubChem CID	44285029
ChEMBL	CHEMBL287726
IUPHAR	N/A
BindingDB	50000571
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	49.0 nM	PMID1315868	ChEMBL
Ki	70.0 nM	PMID1315868	ChEMBL
Ki	89.0 nM	PMID1315868	BindingDB,ChEMBL

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