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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	CHEMBL272050
Molecular formula	C20H25N3O2
IUPAC name	1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine
Molecular weight	339.439
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.7
Synonyms	AC1LJAFQ ST45072264 Cambridge id 6524173 1-(3-nitrobenzyl)-4-(3-phenylpropyl)piperazine MCULE-3667695441 AKOS003273893 STK171216 1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine MolPort-001-524-181 BDBM50372601 ZINC4703393 [ Show all ]
Inchi Key	AQGMGOPOJDMNMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25N3O2/c24-23(25)20-10-4-8-19(16-20)17-22-14-12-21(13-15-22)11-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16H,5,9,11-15,17H2
PubChem CID	947372
ChEMBL	CHEMBL272050
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	>5.0 %	PMID18029187	ChEMBL

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