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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	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	CHEMBL2322511
Molecular formula	C34H40N4O3
IUPAC name	N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-piperidin-1-ylbenzamide
Molecular weight	552.719
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.9
Synonyms	BDBM50427044
Inchi Key	AJLLHPKYDCMVMR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H40N4O3/c39-33(26-7-4-11-30(21-26)38-17-2-1-3-18-38)35-28-9-6-10-29(23-28)36-34(40)27-8-5-12-32(22-27)41-31-15-19-37(20-16-31)24-25-13-14-25/h4-12,21-23,25,31H,1-3,13-20,24H2,(H,35,39)(H,36,40)
PubChem CID	71716193
ChEMBL	CHEMBL2322511
IUPHAR	N/A
BindingDB	50427044
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	77.0 nM	PMID23360448	BindingDB,ChEMBL
Ki	0.5 nM	PMID23360448	BindingDB
Ki	0.5 nM	PMID23360448	ChEMBL

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