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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	CHEMBL98626
Molecular formula	C22H28ClNO
IUPAC name	3-[(3R,4R)-1-[3-(3-chlorophenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol
Molecular weight	357.922
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	6.1
Synonyms	3-{1-[3-(3-Chloro-phenyl)-propyl]-3,4-dimethyl-piperidin-4-yl}-phenol 3-[(3R,4R)-3,4-Dimethyl-1-[3-(3-chlorophenyl)propyl]-4-piperidinyl]phenol BDBM50045752
Inchi Key	BBSCFEZZINPKFM-HTAPYJJXSA-N
Inchi ID	InChI=1S/C22H28ClNO/c1-17-16-24(12-5-7-18-6-3-9-20(23)14-18)13-11-22(17,2)19-8-4-10-21(25)15-19/h3-4,6,8-10,14-15,17,25H,5,7,11-13,16H2,1-2H3/t17-,22+/m0/s1
PubChem CID	10338422
ChEMBL	CHEMBL98626
IUPHAR	N/A
BindingDB	50045752
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	19.0 nM	PMID8410998	BindingDB,ChEMBL
Ki	63.0 nM	PMID8410998	BindingDB,ChEMBL

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