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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	CHEMBL326899
Molecular formula	C21H24Cl2N2O
IUPAC name	2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide
Molecular weight	391.336
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.8
Synonyms	BDBM50007351 N-[2-(Allyl-methyl-amino)-1-phenyl-ethyl]-2-(3,4-dichloro-phenyl)-N-methyl-acetamide 3,4-Dichloro-N-methyl-N-[(S)-2-[N-methyl-N-(2-propenyl)amino]-1-phenylethyl]benzeneacetamide
Inchi Key	BJJKSMKQNRKQQY-HXUWFJFHSA-N
Inchi ID	InChI=1S/C21H24Cl2N2O/c1-4-12-24(2)15-20(17-8-6-5-7-9-17)25(3)21(26)14-16-10-11-18(22)19(23)13-16/h4-11,13,20H,1,12,14-15H2,2-3H3/t20-/m1/s1
PubChem CID	15130828
ChEMBL	CHEMBL326899
IUPHAR	N/A
BindingDB	50007351
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ke	11.8 nM	PMID1659636	ChEMBL
Potency ratio	10.3 -	PMID1659636	ChEMBL

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