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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	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	DSSTox_RID_76986 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 ZINC389747 EN 1530 base 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 [N-allyl-2,3-3H]naloxone 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 DTXSID8023349 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 [17-(2,3-3H-2-propenyl)]-4, 5a -epoxy-3,14-dihydroxymorphinan-6-one EN 1530base 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 DSSTox_GSID_23349 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 EINECS 207-365-7 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 [3H]naloxone 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) [ 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	0.1 %	PMID18207400, PMID17266203	ChEMBL
Activity	50.0 %	PMID19836950	ChEMBL
Activity	90.0 %	PMID8496700	ChEMBL
Activity	97.0 %	PMID26035635, PMID21667972	ChEMBL
Emax	13.0 %	PMID17407276	ChEMBL
IC50	1.87 nM	PMID24171469	ChEMBL
IC50	2.0 nM	PMID11585443	BindingDB,ChEMBL
IC50	7.3 nM	PMID18313920, PMID14643346, PMID17149859, PMID17149858	BindingDB,ChEMBL
IC50	20.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	23.0 nM	PMID17407276	BindingDB,ChEMBL
Imax	92.0 %	PMID17407276	ChEMBL
Inhibition	100.1 %	PMID23659286	ChEMBL
Kd	0.2188 nM	PMID18207400, PMID17266203	ChEMBL
Ke	2.3 nM	PMID21570305, PMID21684752, PMID22341895, PMID25599950, PMID21247164, PMID23618710, PMID19053757, PMID17625813, PMID20055417	ChEMBL
Ki	0.23 nM	PMID21482470	ChEMBL
Ki	0.23 nM	PMID21482470	BindingDB
Ki	0.5623 nM	PMID19527931	ChEMBL
Ki	0.562341 nM	PMID19527931	BindingDB
Ki	0.57 nM	PMID21621410	ChEMBL
Ki	0.57 nM	PMID21621410	BindingDB
Ki	0.66 nM	PMID19027293	ChEMBL
Ki	0.66 nM	PMID19027293	BindingDB
Ki	0.79 nM	PMID17407276	ChEMBL
Ki	0.79 nM	PMID17407276	BindingDB
Ki	0.93 nM	PMID8114680	BindingDB
Ki	0.98 nM	PMID20055417	ChEMBL
Ki	0.98 nM	PMID20055417	BindingDB
Ki	1.1 nM	PMID26632862	BindingDB
Ki	1.148 nM	PMID26632862	ChEMBL
Ki	1.25893 nM	PMID9686407	IUPHAR
Ki	1.259 nM	PMID26632862	ChEMBL
Ki	1.3 nM	PMID26632862	BindingDB
Ki	1.35 nM	PMID7932177	BindingDB
Ki	1.4 nM	PMID7815359, PMID9686407	BindingDB
Ki	1.5 nM	PMID19836950	BindingDB,ChEMBL
Ki	1.6 nM	PMID8496700	BindingDB,ChEMBL
Ki	2.27 nM	PMID21621410	ChEMBL
Ki	2.3 nM	MedChemComm, (2016) 7:2:317, PMID25062506, PMID21621410	BindingDB,ChEMBL
Ki	3.6 nM	PMID12747782	BindingDB
Ki	3.63 nM	PMID12747782	ChEMBL
Ki	3.7 nM	PMID18313920, PMID14643346, PMID17149859, PMID17149858	BindingDB,ChEMBL
Ki	4.2 nM	PMID21621410	BindingDB
Ki	4.23 nM	PMID21621410	ChEMBL
Ki	8.063 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	354.0 nM	PMID25268943	BindingDB,ChEMBL
Ki	1000.0 nM	PMID7932177, PMID7815359	BindingDB
pKb	9.09 -	PMID19527931	ChEMBL