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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	2-(3,4-dichlorophenyl)-N-methyl-N-[(2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Molecular formula	C19H26Cl2N2O
IUPAC name	2-(3,4-dichlorophenyl)-N-methyl-N-[(2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Molecular weight	369.33
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.4
Synonyms	2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl-cyclohexyl)-acetamide; compound with methanesulfonic acid Benzeneacetamide, 3,4-dichloro-N-methyl-N-[(1R,2R)-(2-(1-pyrrolidinyl)cyclohexyl)-, rel- LS-187068 AC1Q3O8J 2-(3,4-dichlorophenyl)-N-methyl-N-[(2r)-2-pyrrolidin-1-ylcyclohexyl] acetamide benzeneacetamide, 3,4-dichloro-n-methyl-n-[(2r)-2-(1-pyrrolidinyl)cyclohexyl]- 67198-13-4 LS-187676 BDBM50169774 CHEMBL360943 AC1L2A3Y SCHEMBL16302924 [ Show all ]
Inchi Key	VQLPLYSROCPWFF-QRWMCTBCSA-N
Inchi ID	InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17?,18-/m1/s1
PubChem CID	68616
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50169774
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	0.2 nM	PMID9686407	BindingDB
Ki	0.36 nM	PMID12065740	BindingDB
Ki	303.7 nM	PMID10585536	BindingDB

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