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GLASS

You can:

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	CHEMBL108344
Molecular formula	C21H22Cl2N2O
IUPAC name	2-(3,4-dichlorophenyl)-N-[(1S)-2-(2,5-dihydropyrrol-1-yl)-1-phenylethyl]-N-methylacetamide
Molecular weight	389.32
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.4
Synonyms	BDBM50007340 2-(3,4-Dichloro-phenyl)-N-[2-(2,5-dihydro-pyrrol-1-yl)-1-phenyl-ethyl]-N-methyl-acetamide
Inchi Key	AHJJCDWRBWUNDK-HXUWFJFHSA-N
Inchi ID	InChI=1S/C21H22Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-10,13,20H,11-12,14-15H2,1H3/t20-/m1/s1
PubChem CID	15130829
ChEMBL	CHEMBL108344
IUPHAR	N/A
BindingDB	50007340
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	10.8 nM	PMID1659636	ChEMBL
IC50	11.0 nM	PMID1659636	BindingDB

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