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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	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	CHEMBL269849
Molecular formula	C28H30O7
IUPAC name	methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyl-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular weight	478.541
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.1
Synonyms	BDBM50372492
Inchi Key	DCDXFHSHVGTAIZ-BEMLAFAFSA-N
Inchi ID	InChI=1S/C28H30O7/c1-27-11-9-19-26(32)35-21(17-10-12-34-15-17)14-28(19,2)24(27)23(30)18(13-20(27)25(31)33-3)22(29)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,24H,9,11,13-14H2,1-3H3/t18-,19+,20+,21+,24+,27+,28+/m1/s1
PubChem CID	44457208
ChEMBL	CHEMBL269849
IUPHAR	N/A
BindingDB	50372492
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1375.0 nM	PMID18293909	BindingDB,ChEMBL

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