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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	morphine
Molecular formula	C17H19NO3
IUPAC name	(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular weight	285.343
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	0.8
Synonyms	UNII-76I7G6D29C Hard stuff (Morphine) M.O.S 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol Morphin 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diolMorphine 6-tert-Butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine Morphine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 85201-37-2 Morphium Astramorph PF MSIR CHEMBL3978843 RMS DB00295 Dulcontin (1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0;{1,13}.0;{5,17}.0;{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol Sevredol (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol Infumorph MOI 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol((Morphine)) Morphina [Italian] 4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine) Morphine 1.0 mg/ml in Methanol 7,8-Didehydro-4,5-epoxy-17-methyl-morphinan-3,6-diol MORPHINE, (5A,6A)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINIAN-3,6-DIOL, MORPHIUM, MORPHIA, DOLCONTIN, DUROMORPH, MORPHINA, NEPENTHE 9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4alpha,5,7alpha,8-tetrahydro-12-methyl- MS Contin BIDD:GT0147 OMS Concentrate Cube juice Roxanol 100 Dimorf (-)(5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol Duromorph Substitol (TN) Epitope ID:116646 (5R,6S,9R,13S,14R)-4,5-Epoxy-N-methyl-7-morphinen-3,6-diol LS-91748 3-(4-Hydroxy-phenyl)-1-propyl-piperidine-3-carboxylic acid ethyl ester Morfina [Italian] 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)(HCl) Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)- 57-27-2 Morphine Forte 76I7G6D29C Morphinum AN-23579 MS/S CCRIS 5762 Ospalivina D0WE3O Dreamer (-)Morphine sulfate SDZ 202-250 Unkie (1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraene-10,14-diol Hocus (morphine) 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol Meconium 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ; HydroChloride Morphin [German] 4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol Morphine (BAN) 6211-15-0 (sulfate (2:1) (salt) pentahydrate) MORPHINE SULFATE 863713-90-0 Morpho Avinza Nepenthe RMS Uniserts DEA No. 9300 Duramorph Statex Drops (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol Kadian 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol Morfina 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine sulfate) Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl- 47106-99-0 Morphine Anhydrate 7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol Morphine;4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol Aguettant Ms Emma BQJCRHHNABKAKU-KBQPJGBKSA-N Oramorph D-(-)-Morphine Roxanol UD Dinamorf (-)-(etorphine) EINECS 200-320-2 UNII-1M5VY6ITRT component BQJCRHHNABKAKU-KBQPJGBKSA-N GTPL1627 (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL M-Eslon 4,5alpha-Epoxy-17-methyl-7-morphinen-3,6alpha-diol Morphia 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol,sulfate(Morphinesulfate) Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)- 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Morphine) Morphine H.P 8053-16-5 Morphitec AN-23737 Mscontin, Oramorph CHEBI:17303 Rescudose DTXSID9023336 (1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol SDZ202-250 ZINC3812983 (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol HSDB 2134 1325730-46-8 methyl[?]diol 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ;sulphate salt(morphine) Morphina 4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol (morphine) Morphine 0.1 mg/ml in Methanol 64-31-3 (sulfate (2:1) (salt) anhydrous) Morphine [BAN] 9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4a,5,7a,8-tetrahydro-12-methyl- Moscontin BDBM50000092 NSC11441 CHEMBL70 Roxanol DepoDur Duramorph PF Statex SR Epimorph (5alpha,6alpha)-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol l-Morphine 2-{4-[2,4-diamino-6-pteridinylmethyl(methyl)amino]phenylcarboxamido}pentanedioic acid(morphine) Morfina Dosa (TN) 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine) Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5..alpha.,6.alpha.)- Morphine Extra-Forte 7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol(morphine) Morphinism AKOS015966554 MS/L C01516 Oramorph SR D08233 SCHEMBL2997 Dolcontin (-)-Morphine [ Show all ]
Inchi Key	BQJCRHHNABKAKU-KBQPJGBKSA-N
Inchi ID	InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
PubChem CID	5288826
ChEMBL	CHEMBL70
IUPHAR	1627
BindingDB	50000092
DrugBank	DB00295
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	31.0 -	PMID7515442	ChEMBL
Activity	62.0 %	PMID21235243, PMID16913723, PMID19253983, PMID17887741	ChEMBL
EC50	400.0 nM	PMID23880538	ChEMBL
EC50	484.0 nM	PMID16913723, PMID21235243, PMID19253983, PMID17887741	BindingDB,ChEMBL
ED50	1140.0 nM	PMID20055417	ChEMBL
Emax	28.0 %	PMID20055417	ChEMBL
IC50	217.0 nM	PMID11585443	BindingDB
IC50	1705.0 nM	PMID12502358	BindingDB
IC50	1705.1 nM	PMID12502358	ChEMBL
Inhibition	90.0 %	PMID23880538	ChEMBL
Ki	6.9 nM	PMID19932964	BindingDB,ChEMBL
Ki	11.1 nM	PMID7932177	BindingDB
Ki	13.0 nM	PMID22680612	BindingDB
Ki	13.3 nM	PMID22680612	ChEMBL
Ki	24.0 nM	PMID22439881, PMID16392810, PMID15055988	BindingDB,ChEMBL
Ki	33.0 nM	PMID1315868	BindingDB,ChEMBL
Ki	33.7 nM	PMID20478711	BindingDB,ChEMBL
Ki	46.9 nM	PMID16913723, PMID17887741, PMID9686407	BindingDB,ChEMBL
Ki	47.0 nM	PMID16913723, PMID17887741	BindingDB
Ki	50.1187 nM	PMID9686407	IUPHAR
Ki	52.0 nM	PMID12372519	BindingDB
Ki	52.14 nM	PMID12372519	ChEMBL
Ki	60.9 nM	PMID23419026	ChEMBL
Ki	61.0 nM	PMID23419026	BindingDB
Ki	64.0 nM	PMID12930147	BindingDB,ChEMBL
Ki	65.5 nM	PMID18311899	ChEMBL
Ki	86.0 nM	PMID2567782	BindingDB,ChEMBL
Ki	113.0 nM	PMID12699394	BindingDB,ChEMBL
Ki	120.0 nM	PMID26390077	BindingDB,ChEMBL
Ki	260.0 nM	PMID12166947, PMID9651168	BindingDB,ChEMBL
Ki	299.0 nM	PMID25599950, PMID23618710, PMID22341895, PMID23880358	BindingDB,ChEMBL
Ki	538.0 nM	PMID8114680	BindingDB
Ki	1900.0 nM	, Bioorg. Med. Chem. Lett., (1992) 2:7:715	BindingDB,ChEMBL

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