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GPCR

Name	Mu-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRM1
Synonym	hMOP M-OR-1 MOP opioid receptor, mu 1 opioid receptor MOPr MOR-1 Mu opiate receptor Mu opioid receptor mu receptor OP3 [ Show all ]
Disease	Diarrhea Inflammatory disease Pain Major depressive disorder Migraine Mild pain Moderate-to-severe acute pain Opioid-induced constipation Opiate dependence Urinary incontinence Movement disorder Obesity Non-small cell lung cancer Systemic pain Headache Analgesia Anesthesia Asthma Cancer pain Chronic pain Constipation Diabetic neuropathy Unspecified Gastrointestinal disease Gastrointestinal disease; Pain General anesthesia Narcotic depression [ Show all ]
Length	400
Amino acid sequence	MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P35372
Protein Data Bank	N/A
GPCR-HGmod model	P35372
3D structure model	This predicted structure model is from GPCR-EXP P35372.
BioLiP	N/A
Therapeutic Target Database	T47768
ChEMBL	CHEMBL233
IUPHAR	319
DrugBank	BE0000770

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	93.0 %	PMID16913723, PMID19253983, PMID17887741	ChEMBL
Activity	103.0 %	PMID21235243	ChEMBL
EC50	3.7 nM	PMID24900459	BindingDB,ChEMBL
EC50	6.0 nM	PMID17616524	ChEMBL
EC50	6.4 nM	PMID17616524	ChEMBL
EC50	7.0 nM	PMID17616524	ChEMBL
EC50	10.0 nM	PMID25087049	BindingDB
EC50	10.0 nM	PMID25087049	ChEMBL
EC50	15.6 nM	PMID16913723, PMID19253983, PMID17887741	ChEMBL
EC50	16.0 nM	PMID16913723, PMID19253983, PMID17887741	BindingDB
EC50	34.0 nM	N/A	BindingDB
EC50	39.81 nM	PMID24063433	ChEMBL
EC50	50.0 nM	PMID23880538	ChEMBL
EC50	316.0 nM	PMID21235243, PMID17887741	BindingDB,ChEMBL
EC50	501.19 nM	PMID24063433	ChEMBL
ED50	37.0 nM	PMID17625813, PMID20055417	ChEMBL
Emax	77.0 %	PMID22995061	ChEMBL
Emax	86.0 %	PMID17625813, PMID20055417	ChEMBL
Emax	100.0 %	PMID17616524	ChEMBL
Emax	202.0 %	PMID18062664	ChEMBL
IC50	0.57 nM	PMID12502358	BindingDB
IC50	0.57 nM	PMID12502358	ChEMBL
IC50	1.0 nM	PMID11585443	BindingDB
IC50	2.5 nM	PMID24171469	ChEMBL
IC50	4.3 nM	PMID22995061	BindingDB,ChEMBL
IC50	6.3 nM	PMID26789491	BindingDB,ChEMBL
Inhibition	81.0 %	PMID24183585	ChEMBL
Inhibition	91.0 %	PMID23880538	ChEMBL
Inhibition	98.0 %	PMID24183585	ChEMBL
Ki	0.14 nM	PMID22680612	BindingDB
Ki	0.14 nM	PMID22680612	ChEMBL
Ki	0.32 nM	N/A	BindingDB
Ki	0.53 nM	PMID26390077	ChEMBL
Ki	0.53 nM	PMID26390077	BindingDB
Ki	0.88 nM	PMID22439881, PMID16392810, PMID15055988	ChEMBL
Ki	0.88 nM	PMID22439881, PMID16392810, PMID15055988	BindingDB
Ki	1.0 nM	PMID9686407, PMID2549383	IUPHAR
Ki	1.02 nM	PMID7932177	BindingDB
Ki	1.1 nM	PMID16913723, PMID17887741, PMID9686407	BindingDB,ChEMBL
Ki	1.7 nM	PMID18311899	ChEMBL
Ki	1.8 nM	PMID2567782	BindingDB,ChEMBL
Ki	1.9 nM	PMID21621410	BindingDB
Ki	1.92 nM	PMID21621410	ChEMBL
Ki	2.0 nM	PMID7815359	BindingDB
Ki	2.2 nM	PMID24900459, PMID12513698	BindingDB,ChEMBL
Ki	2.5 nM	PMID21621410	BindingDB
Ki	2.52 nM	PMID21621410	ChEMBL
Ki	2.55 nM	PMID19627147, PMID21684752	ChEMBL
Ki	2.6 nM	PMID19627147, PMID21684752, PMID23880358, PMID21570305, PMID25599950, PMID23618710, PMID22341895	BindingDB,ChEMBL
Ki	3.0 nM	PMID12930147	BindingDB,ChEMBL
Ki	3.96 nM	PMID12372519	ChEMBL
Ki	4.0 nM	PMID12372519, PMID17616524	BindingDB,ChEMBL
Ki	4.6 nM	PMID21621410	BindingDB,ChEMBL
Ki	5.2 nM	PMID25062506, MedChemComm, (2016) 7:2:317	BindingDB,ChEMBL
Ki	14.0 nM	PMID8114680	BindingDB
Ki	17.0 nM	PMID12166947, PMID9651168	BindingDB,ChEMBL
Ki	22.0 nM	PMID25494650	BindingDB,ChEMBL
Ki	38.0 nM	, Bioorg. Med. Chem. Lett., (1992) 2:7:715	BindingDB,ChEMBL
Log10ED50	7.13 -	PMID18062664	ChEMBL
Ratio	0.021 -	PMID2567782	ChEMBL
Ratio	265.0 -	PMID12502358	ChEMBL

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