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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	CHEMBL334511
Molecular formula	C31H35NO4
IUPAC name	(1R,5S,14R)-1-methyl-6-(methylamino)-5-(3-phenylpropoxy)-14-propyl-11-prop-2-ynoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-one
Molecular weight	485.624
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.1
Synonyms	BDBM50133228 4,13-dimethyl-17-(3-phenylpropoxy)-10-(2-propynyloxy)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-one
Inchi Key	DVRSAVHYANYYAI-XJHIRHBFSA-N
Inchi ID	InChI=1S/C31H35NO4/c1-5-17-30-27-23-14-15-24(34-19-6-2)28(27)36-29(30,3)26(33)16-18-31(30,25(21-23)32-4)35-20-10-13-22-11-8-7-9-12-22/h2,7-9,11-12,14-16,18,25,32H,5,10,13,17,19-21H2,1,3-4H3/t25?,29-,30-,31+/m0/s1
PubChem CID	44355310
ChEMBL	CHEMBL334511
IUPHAR	N/A
BindingDB	50133228
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	24.1 nM	PMID12954070	BindingDB,ChEMBL

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