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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	U-69593
Molecular formula	C22H32N2O2
IUPAC name	N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
Molecular weight	356.51
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.0
Synonyms	NCGC00163179-03 U-69,593 [3H]U69593 96744-75-1 BDBM21130 GTPL1655 N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamide N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide SCHEMBL726034 U69,593 (5alpha,7alpha,8beta)-(-)-N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide AOB5676 benzeneacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]- D0V3OY KB-62197 NCGC00163179-01 U 69,593 ZINC2517042 BCP0726000202 CAS-96744-75-1 DSSTox_RID_81542 N-methyl-2-phenyl-N-((5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl)acetamide N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide PDSP2_001518 (+)-(5alpha,7alpha,8beta)-N-Methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-benzeneacetamide AC1L2Y1T Benzeneacetamide, N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)- CHEMBL440765 GTPL1656 N-Methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-8-yl)benzeneacetamide Tox21_112026 U69593 1-Oxaspiro[4.5]decane, benzeneacetamide deriv. API0007632 Benzeneacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]- (9CI) DSSTox_CID_26326 LS-182245 NCGC00163179-02 U 69593 [3H]-U69593 BCP23063 CHEBI:73357 DTXSID3046326 n-methyl-2-phenyl-n-[(5r,7s,8s)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]dec-8-yl]acetamide N-methyl-2-phenyl-N-[(5R,8S,9S)-9-pyrrolidin-1-yl-4-oxaspiro[4.5]decan-8-yl]acetamide PGZRDDYTKFZSFR-ONTIZHBOSA-N U-69593, solid (+)-(5\|A,7\|A,8\|A)-N-Methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-benzeneacetamide AC1Q5HUW Benzeneacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-, (5alpha,7alpha,8beta)-(-)- D01FSE J5S4K6TKTG N-Methyl-N-[(5R)-7alpha-(1-pyrrolidinyl)-1-oxaspiro[4.5]decan-8beta-yl]benzeneacetamide Tox21_112026_1 UNII-J5S4K6TKTG AS-16910 Benzeneacetamide, N-methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, [5R-(5alpha,7alpha,8beta)]- DSSTox_GSID_46326 MFCD05664586 [ Show all ]
Inchi Key	PGZRDDYTKFZSFR-ONTIZHBOSA-N
Inchi ID	InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PubChem CID	105104
ChEMBL	CHEMBL440765
IUPHAR	1656, 1655
BindingDB	21130
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	7.7 nM	PMID25221662	ChEMBL
Emax	202.0 %	PMID25221662	ChEMBL
IC50	0.63 nM	PMID9873480	BindingDB
IC50	0.63 nM	PMID9873480	ChEMBL
Kd	1.0 nM	PMID25593096	ChEMBL
Kd	1.0 nM	PMID25593096	BindingDB
Ki	1.4 nM	PMID10753461	ChEMBL
Ki	1.99526 - 10.0 nM	PMID8240267, PMID8234341	IUPHAR
Ki	2.0 nM	PMID10753461	ChEMBL
Ki	2.4 nM	PMID10753461	ChEMBL
Ki	3.0 nM	PMID10753461	ChEMBL
Ki	5.7 nM	PMID25221662	ChEMBL
Ki	6.65 nM	PMID7562497	BindingDB
Ki	252.8 nM	PMID9700760	BindingDB
Ki	443.0 nM	PMID12887410	BindingDB
Ki	591.3 nM	PMID9700760	BindingDB

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