Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Kappa-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRK1
Synonym	K-OR-1 KOPr OP2 KOP KOR-1 Kappa receptor [ Show all ]
Disease	Obesity Opiate dependence Inflammatory bowel disease Erythema Diarrhea-predominant IBS Unspecified Bipolar disorder Alcohol use disorders Pain Substance dependence Neurodegenerative disease [ Show all ]
Length	380
Amino acid sequence	MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProt	P41145
Protein Data Bank	6b73, 4djh
GPCR-HGmod model	P41145
3D structure model	This structure is from PDB ID 6b73.
BioLiP	BL0402244,BL0402246, BL0224693,BL0224694, BL0402243,BL0402245
Therapeutic Target Database	T60693
ChEMBL	CHEMBL237
IUPHAR	318
DrugBank	BE0000632

Ligand

Name	naloxone
Molecular formula	C19H21NO4
IUPAC name	(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight	327.38
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.1
Synonyms	HSDB 3279 MLS000069540 (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5alpha)-(9CI) 12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furanone n-Allylnoroxymorphone 357-08-4 (hydrochloride) Naloxone (INN) 465-65-6 Narcanti API0003490 Normorphinone, N-allyl-dihydro-14-hydroxy- BSPBio_000122 Prestwick1_000111 D0RN5A Tox21_112006_1 DSSTox_RID_76986 l-N-Allyl-7,8-dihydro-14-hydroxynormorphinone (-)-Naloxone Morphinan-6-one, 17-allyl-4,5alpha-epoxy-3,14-dihydroxy- (8CI) (naloxone) 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one Morphinan-6-one,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5.alpha.)- Nalossone 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one (naloxone) Naloxone [INN:BAN] NCGC00024674-02 BIDD:GT0110 NSC70413 CHEBI:7459 SCHEMBL34284 DB01183 ZINC389747 EN 1530 base GTPL1676 LS-92141 (4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5alpha)- 1-N-Allyl-14-hydroxynordihydromorphinone N-Allyl-4,5alpha-epoxy-3,14-dihydroxy-6-morphinanon 17-Allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one Naloxona [INN-Spanish] 4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one Narcan AKOS016009988 NCGC00274058-01 BRD-K67511046-003-03-7 PDSP2_001520 cid_5464092 SPBio_002061 DSSTox_CID_3349 [N-allyl-2,3-3H]naloxone KB-297992 MLS000736771 (5alpha)-3,14-dihydroxy-17-prop-2-en-1-yl-4,5-epoxymorphinan-6-one Morphinan-6-one, 4,5alpha-epoxy-3,14-dihydroxy-17-(2-propenyl)- 12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro[4,5-bcd]furan-5(6H)-one Nalone 36B82AMQ7N Naloxone Nasal Spray 465N656 Narcanti (TN) BDBM50000788 NSC 70413 C07252 Prestwick2_000111 D0X3FX UNII-36B82AMQ7N DTXSID8023349 l-Naloxone (1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0;{1,13}.0;{5,17}.0;{7,18}]octadeca-7(18),8,10-trien-14-one Morphinan-6-one, 17-allyl-4,5alpha-epoxy-3,14-dihydroxy-(8CI) (naloxone)4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one Morphinan-6-one,5.alpha.-epoxy-3,14-dihydroxy- 17-allyl-3,14-dihydroxy-4,5alpha-epoxymorphinan-6-one Nalossone [DCIT] 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one( Naloxone) Naloxonum NCGC00024674-03 BPBio1_000136 Nyxoid SMP1_000205 DBL Naloxone [17-(2,3-3H-2-propenyl)]-4, 5a -epoxy-3,14-dihydroxymorphinan-6-one EN 1530base HMS2090F20 MCULE-1335589007 (4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5alpha)- (9CI) 1-N-Allyl-7,8-dihydro-14-hydroxynormorphinone N-Allyl-noroxymorphone 3,14-dihydroxy-17-(prop-2-en-1-yl)-4,5alpha-epoxymorphinan-6-one 4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(naloxone)C2H2O4 Narcan (TN) AN-45114 Normorphinone, N-allyl-7,8-dihydro-14-hydroxy-, (-)- BRN 1089071 Prestwick0_000111 D08249 Tox21_112006 DSSTox_GSID_23349 l-N-Allyl-14-hydroxynordihydromorphinone (-)-N-allyl-14-hydroxynordihydroxymorphinan-6-one Morphinan-6-one, 17-allyl-4,5alpha-epoxy-3,14-dihydroxy- (5alpha)-4,5-Epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-one Morphinan-6-one,4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-,(5\|A)- Nalone (TN) 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one Naloxone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 4aH-8,5-bcd]furan-5(6H)-one, N-allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy- Narcon BDBM54795 NSC-70413 CAS-465-65-6 Prestwick3_000111 UZHSEJADLWPNLE-GRGSLBFTSA-N EINECS 207-365-7 GTPL1638 LS-187184 (1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one Morphinan-6-one, 4,5-alpha-epoxy-3,14-dihydroxy-17-(2-propenyl)- (naloxone)4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one Morphinan-6-one,5.alpha.-epoxy-3,14-dihydroxy-17-(2-propenyl)- 17-Allyl-4,5-alpha-epoxy-3,14-dihydroxymorphinan-6-one Naloxona 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(Naxolone) Naloxonum [INN-Latin] AJ-20933 NCGC00162267-02 BRD-K67511046-001-02-3 O940 CHEMBL80 SMR000058766 DBL Naloxone (TN) [3H]naloxone [ Show all ]
Inchi Key	UZHSEJADLWPNLE-GRGSLBFTSA-N
Inchi ID	InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
PubChem CID	5284596
ChEMBL	CHEMBL80
IUPHAR	1676, 1638
BindingDB	50000788, 54795
DrugBank	DB01183
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Activity	51.0 -	PMID7515442	ChEMBL
Activity	101.6 %	PMID26035635, PMID21667972	ChEMBL
EC50	6.6 nM	PMID12747782	BindingDB,ChEMBL
EC50	10.0 nM	PMID17407276	BindingDB,ChEMBL
Emax	25.0 %	PMID17407276	ChEMBL
IC50	1.5 nM	PMID11585443	BindingDB,ChEMBL
IC50	49.8 nM	PMID12747782	ChEMBL
IC50	50.0 nM	PMID12747782	BindingDB
IC50	75.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	182.0 nM	N/A	BindingDB
IC50	320.0 nM	PMID17407276	BindingDB,ChEMBL
IC50	616.0 nM	N/A	BindingDB
IC50	704.0 nM	N/A	BindingDB
Imax	55.0 %	PMID17407276	ChEMBL
Inhibition	105.6 %	PMID23659286	ChEMBL
Ke	10.0 nM	PMID20055417	ChEMBL
Ke	11.0 nM	PMID21570305	ChEMBL
Ki	0.25 nM	PMID21482470	ChEMBL
Ki	0.25 nM	PMID21482470	BindingDB
Ki	1.1 nM	PMID17407276	BindingDB,ChEMBL
Ki	1.2 nM	PMID10741545, PMID19027293	BindingDB,ChEMBL
Ki	2.3 nM	PMID8114680	BindingDB
Ki	2.5 nM	PMID9686407	BindingDB
Ki	2.51188 - 25.1189 nM	PMID9686407, PMID7869844, PMID7624359, PMID9262330	IUPHAR
Ki	3.0 nM	PMID20055417	BindingDB,ChEMBL
Ki	4.467 nM	PMID19527931	ChEMBL
Ki	4.5 nM	PMID19527931	BindingDB
Ki	9.2 nM	PMID18313920, PMID14643346, PMID17149859, PMID17149858	BindingDB,ChEMBL
Ki	9.2 nM	PMID14643346	BindingDB
Ki	10.7 nM	PMID12747782	ChEMBL
Ki	11.0 nM	PMID12747782	BindingDB
Ki	13.8 nM	PMID7932177	BindingDB
Ki	14.7 nM	PMID20441176	ChEMBL
Ki	15.0 nM	PMID20441176, MedChemComm, (2016) 7:2:317	BindingDB,ChEMBL
Ki	30.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	362.0 nM	PMID25268943	BindingDB,ChEMBL
Ki	1000.0 nM	PMID7932177	BindingDB
Max inhibition	98.0 %	PMID12747782	ChEMBL
Max stimulation	30.0 %	PMID12747782	ChEMBL
pKb	7.14 -	PMID19527931	ChEMBL