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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	Rattus norvegicus (Rat)
Gene	Oprk1
Synonym	K-OR-1 kappa receptor KOP KOPr KOR-1 OP2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	380
Amino acid sequence	MESPIQIFRGEPGPTCAPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAVLSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProt	P34975
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	CHEMBL3614
IUPHAR	318
DrugBank	N/A

Ligand

Name	CHEMBL97509
Molecular formula	C21H33NO
IUPAC name	3-[(3R,4R)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol
Molecular weight	315.501
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	6.2
Synonyms	3-[(3R,4R)-1-(2-Cyclohexylethyl)-3,4-dimethyl-4-piperidinyl]phenol BDBM50045778 ZINC13833041 3-[1-(2-Cyclohexyl-ethyl)-3,4-dimethyl-piperidin-4-yl]-phenol
Inchi Key	BJKXRIMJMHAGSP-LAUBAEHRSA-N
Inchi ID	InChI=1S/C21H33NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h6,9-10,15,17-18,23H,3-5,7-8,11-14,16H2,1-2H3/t17-,21+/m0/s1
PubChem CID	9884847
ChEMBL	CHEMBL97509
IUPHAR	N/A
BindingDB	50045778
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
AD50	0.69 mg kg-1	PMID8410999	ChEMBL

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