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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Kappa-type opioid receptor
Species	Mus musculus (Mouse)
Gene	Oprk1
Synonym	MSL-1 KOR-1 KOPr KOP Kappa receptor K-OR-1 OP2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	380
Amino acid sequence	MESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProt	P33534
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	CHEMBL4329
IUPHAR	318
DrugBank	N/A

Ligand

Name	CHEMBL431266
Molecular formula	C22H35NO
IUPAC name	3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
Molecular weight	329.528
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	6.6
Synonyms	3-[1-(3-Cyclohexyl-propyl)-3,4-dimethyl-piperidin-4-yl]-phenol ZINC13833042 3-[(3R,4R)-1-(3-Cyclohexylpropyl)-3,4-dimethyl-4-piperidinyl]phenol BDBM50045785 SCHEMBL12168480
Inchi Key	DRIFNPBKGHUWAN-PGRDOPGGSA-N
Inchi ID	InChI=1S/C22H35NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h6,11-12,16,18-19,24H,3-5,7-10,13-15,17H2,1-2H3/t18-,22+/m0/s1
PubChem CID	10359237
ChEMBL	CHEMBL431266
IUPHAR	N/A
BindingDB	50045785
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	0.19 mg kg-1	PMID8410999	ChEMBL

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