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GPCR

Name	Kappa-type opioid receptor
Species	Cavia porcellus (Guinea pig)
Gene	OPRK1
Synonym	K-OR-1 KOR-1
Disease	N/A for non-human GPCRs
Length	380
Amino acid sequence	MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProt	P41144
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	CHEMBL3952
IUPHAR	N/A
DrugBank	N/A

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	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 Substitol (TN) 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 (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 Unkie SDZ 202-250 (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 Epimorph Statex Drops 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 UNII-1M5VY6ITRT component BQJCRHHNABKAKU-KBQPJGBKSA-N 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 (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol ZINC3812983 SDZ202-250 (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 Epitope ID:116646 Statex SR 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 (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 UNII-76I7G6D29C (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 Sevredol [ 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
Dose ratio	7.5 -	PMID1310115	ChEMBL
IC50	1.8 nM	PMID7739011	BindingDB
IC50	1.82 nM	PMID7739011	ChEMBL
IC50	130.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:21:2527	BindingDB,ChEMBL
IC50	213.1 nM	PMID18990576	BindingDB,ChEMBL
IC50	271.0 nM	PMID8642567	BindingDB,ChEMBL
IC50	>500.0 nM	PMID18337104	ChEMBL
IC50	530.0 nM	PMID2887656	BindingDB,ChEMBL
IC50	2390.0 nM	PMID1846918, PMID1659636	BindingDB,ChEMBL
Ke	20.5 nM	PMID18829333	ChEMBL
Ki	<10000.0 nM	PMID20580236	BindingDB,ChEMBL
Ki	24.0 nM	PMID19027293, PMID11000010, PMID11425545	BindingDB,ChEMBL
Ki	28.0 nM	PMID25129170	BindingDB
Ki	28.1 nM	PMID25129170	ChEMBL
Ki	33.9 nM	PMID16777416, PMID9686407	BindingDB,ChEMBL
Ki	34.0 nM	PMID16777416	BindingDB
Ki	35.0 nM	PMID26411794	BindingDB,ChEMBL
Ki	46.9 nM	PMID21641798	BindingDB,ChEMBL
Ki	49.0 nM	PMID1315868	BindingDB,ChEMBL
Ki	54.3 nM	PMID21641219	BindingDB,ChEMBL
Ki	69.0 nM	PMID7739013	BindingDB
Ki	69.1 nM	PMID7739013	ChEMBL
Ki	86.0 nM	PMID2832603	BindingDB,ChEMBL
Ki	110.0 nM	PMID9873603	BindingDB,ChEMBL
Ki	113.0 nM	PMID15857143	BindingDB,ChEMBL
Ki	151.0 nM	PMID1846921, PMID12930147	BindingDB,ChEMBL
Ki	167.0 nM	PMID2831363	BindingDB,ChEMBL
Ki	188.0 nM	PMID14998329	BindingDB,ChEMBL
Ki	217.0 nM	PMID11121615	BindingDB
Ki	301.0 nM	PMID1652025, PMID1323679	BindingDB,ChEMBL
Ki	330.0 nM	PMID8642554	BindingDB,ChEMBL
Ki	467.74 nM	PMID11960505	ChEMBL
Ki	468.0 nM	PMID23517479	ChEMBL
Ki	1870.0 nM	PMID7932535, PMID9873439	BindingDB,ChEMBL
Ki	6424.0 nM	PMID8390575	BindingDB,ChEMBL
Relative affinity	0.7 %	PMID11960505	ChEMBL

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