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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	Homo sapiens (Human)
Gene	OPRK1
Synonym	K-OR-1 KOPr OP2 KOP KOR-1 Kappa receptor [ Show all ]
Disease	Obesity Opiate dependence Inflammatory bowel disease Erythema Diarrhea-predominant IBS Unspecified Bipolar disorder Alcohol use disorders Pain Substance dependence Neurodegenerative disease [ Show all ]
Length	380
Amino acid sequence	MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProt	P41145
Protein Data Bank	6b73, 4djh
GPCR-HGmod model	P41145
3D structure model	This structure is from PDB ID 6b73.
BioLiP	BL0402244,BL0402246, BL0224693,BL0224694, BL0402243,BL0402245
Therapeutic Target Database	T60693
ChEMBL	CHEMBL237
IUPHAR	318
DrugBank	BE0000632

Ligand

Name	CHEMBL1783826
Molecular formula	C26H33Cl2N3O
IUPAC name	(2R)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide
Molecular weight	474.47
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.5
Synonyms	1-benzyl-N-(3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl)-d-prolinamide BDBM50418594 DGV 1-Benzyl-N-{3-[4-(2,6-Dichlorophenyl)piperidin-1-Yl]propyl}-D-Prolinamide SCHEMBL8178272
Inchi Key	UWHDLFOAIARROU-XMMPIXPASA-N
Inchi ID	InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
PubChem CID	25001412
ChEMBL	CHEMBL1783826
IUPHAR	N/A
BindingDB	50418594
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	316.0 nM	PMID19527931	BindingDB
Ki	316.23 nM	PMID19527931	ChEMBL
pKb	>6.0 -	PMID19527931	ChEMBL

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