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GPCR

Name	Mu-type opioid receptor
Species	Rattus norvegicus (Rat)
Gene	Oprm1
Synonym	Opioid receptor B opioid receptor OP3 mu receptor MOR-1 MOPr MOP M-OR-1 opioid receptor, mu 1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	398
Amino acid sequence	MDSSTGPGNTSDCSDPLAQASCSPAPGSWLNLSHVDGNQSDPCGLNRTGLGGNDSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRVRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P33535
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	CHEMBL270
IUPHAR	319
DrugBank	N/A

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	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 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 (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 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)- 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 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 (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 l-N-Allyl-7,8-dihydro-14-hydroxynormorphinone (-)-Naloxone Morphinan-6-one, 17-allyl-4,5alpha-epoxy-3,14-dihydroxy- (8CI) 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 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)- 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 KB-297992 MLS000736771 (5alpha)-3,14-dihydroxy-17-prop-2-en-1-yl-4,5-epoxymorphinan-6-one (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 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) 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 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 [ 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	1638, 1676
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
Control	105.0 %	PMID2167979	ChEMBL
Control	111.0 %	PMID2167979	ChEMBL
Kd	0.4 nM	PMID3007760	BindingDB
Kd	0.4 nM	PMID3007760	ChEMBL
Kd	3.0 nM	PMID10782696	BindingDB,ChEMBL
Kd	5.0 nM	PMID3007760	BindingDB,ChEMBL
Ki	0.559 nM	PMID7562497	BindingDB
Ki	0.9 nM	PMID10585536	BindingDB
Ki	1.07 nM	PMID2563773	BindingDB,ChEMBL
Ki	1.4 nM	PMID10741545	BindingDB,ChEMBL
Ki	2.0 nM	PMID25087049	BindingDB
Ki	2.0 nM	PMID25087049	ChEMBL
Ki	3.7 nM	PMID8410998, PMID8057274	BindingDB,ChEMBL
Ki	6.3 nM	PMID8410999	BindingDB,ChEMBL
Ki	3550.0 nM	PMID7562497	BindingDB
Kp	20.7 -	PMID2831361	ChEMBL
Kp	980000000.0 -	PMID2999404	ChEMBL
KT	19.4 -	PMID2831361	ChEMBL
Kt	260000000.0 -	PMID2999404	ChEMBL
ln Kp	20.7 -	PMID2999404	ChEMBL
ln Kt	19.4 -	PMID2999404	ChEMBL