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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Kappa-type opioid receptor
Species	Mus musculus (Mouse)
Gene	Oprk1
Synonym	MSL-1 KOR-1 KOPr KOP Kappa receptor K-OR-1 OP2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	380
Amino acid sequence	MESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProt	P33534
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	CHEMBL4329
IUPHAR	318
DrugBank	N/A

Ligand

Name	CHEMBL3604278
Molecular formula	C27H35N3O2
IUPAC name	N,N-diethyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide
Molecular weight	433.596
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.3
Synonyms	BDBM50114373 SCHEMBL12564093
Inchi Key	FADXIKFNLNFDLC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H35N3O2/c1-5-15-28-18-23-17-24(19-28)30(23)26(22-9-8-10-25(16-22)32-4)20-11-13-21(14-12-20)27(31)29(6-2)7-3/h5,8-14,16,23-24,26H,1,6-7,15,17-19H2,2-4H3
PubChem CID	53258998
ChEMBL	CHEMBL3604278
IUPHAR	N/A
BindingDB	50114373
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	4000.0 nM	PMID26252963	BindingDB,ChEMBL

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