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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	naltrexone
Molecular formula	C20H23NO4
IUPAC name	(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight	341.407
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	1.9
Synonyms	CHEMBL19019 Vivitrex Depotrex FT-0696752 LS-92094 N-Cyclopropylmethylnoroxymorphone (-)naltrexone Naltrexone (polymer microcapsule depot, opioid addiction/alcohol dependency), Biotek 16590-41-3 Naltrexone depot (injectable suspension), DrugAbuse Sciences 88088-EP2270005A1 NCGC00024427-03 AN-12941 Prestwick1_000116 BRN 3596648 SCHEMBL34681 Tox21_112007 cyclopropylmethyl(dihydroxy)[?]one W-5099 DSSTox_GSID_46313 HS-0002 Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-alpha-epoxy-3,14-dihydroxy- Naltrexona (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-one Naltrexone (sustained release), elbion 17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one Naltrexone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 88088-EP2298776A1 NCGC00162274-02 BDBM60212 PTI-555 CAS-16590-41-3 UNII-5S6W795CQM EINECS 240-649-9 IBS therapy, Pain Therapeutics MorViva Naltrexone (low-dose), Pain Therapeutics (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride Naltrexone base anhydrous 5S6W795CQM Naltrexonum AB00174152_17 PDSP2_000847 BRD-K88172511-003-21-1 ReVia CHEBI:7465 cid_5485201 Vivitrol DQCKKXVULJGBQN-XFWGSAIBSA-N GTPL1639 MCULE-7032963403 Naltrel (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0;{1,13}.0;{5,17}.0;{7,18}]octadeca-7(18),8,10-trien-14-one naltrexone (ReVia) 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxmorphinan-6-one, (5.alpha.)- Naltrexone depot (injectable suspension), elbion 88088-EP2275420A1 NCGC00024427-04 BCP07022 Prestwick2_000116 BSPBio_000132 SMP1_000206 Tox21_112007_1 D05113 XR-NTX DSSTox_RID_81532 HSDB 6750 Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5alpha)- Naltrexona [INN-Spanish] (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(oxidanyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride Naltrexone (transdermal, alcohol/opioid dependence), Syntropharma 3,14-dihydroxy-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan-6-one Naltrexone [USAN:BAN:INN] 88088-EP2305648A1 Nemexin BIDD:GT0405 PTI-901 CCRIS 3506 US9107954, naltrexone DB00704 EN-1639A [AS HYDROCHLORIDE] Irritable bowel syndrome therapy, Pain Therapeutics N-Cyclopropylmethyl-14-hydroxydihydromorphinone (-)-Naltrexone Naltrexone (once-monthly controlled-release, Medisorb), Alkermes Naltrexone Depot Naltrexonum [INN-Latin] AKOS015994596 Prestwick0_000116 BRD-K88172511-310-03-8 SC-94535 CS-0880 Vivitrol (TN) DSSTox_CID_26313 HMS2089O11 MolPort-004-920-221 Naltrexon (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one Naltrexone (sustained release), DAS 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one Naltrexone hydrochloride 88088-EP2298761A1 NCGC00024427-05 BDBM50000787 Prestwick3_000116 C07253 SPBio_002071 UM-792 D0PG8O ZINC1773 DTXSID4046313 HY-76711 Morphinan-6-one,17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5a)- (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one Naltrexone (USAN/INN) Naltrexone [USAN:INN:BAN] AB00174152-14 Opioid antagonists (irritable bowel syndrome), Pain Therapeutics BPBio1_000146 PubChem24168 Celupan [ Show all ]
Inchi Key	DQCKKXVULJGBQN-XFWGSAIBSA-N
Inchi ID	InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PubChem CID	5360515
ChEMBL	CHEMBL19019
IUPHAR	1639
BindingDB	60212, 50000787
DrugBank	DB00704
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	0.0 %	PMID19217280	ChEMBL
EC50	0.38 nM	PMID23721804	ChEMBL
EC50	0.59 Ke nM-1	PMID12672258	ChEMBL
EC50	0.59 nM	PMID12825957, PMID12672258	BindingDB
EC50	0.59 nM	PMID12825957	ChEMBL
EC50	16.0 nM	PMID19282177	BindingDB,ChEMBL
Emax	6.7 %	PMID17407276	ChEMBL
Emax	7.18 %	PMID23721804	ChEMBL
Emax	7.2 %	PMID24144240	ChEMBL
Emax	7.75 %	PMID23116124, PMID21788135	ChEMBL
Emax	14.0 %	PMID19282177	ChEMBL
IC50	0.59 nM	PMID17004724	ChEMBL
IC50	0.59 nM	PMID17004724	BindingDB
IC50	3.9 nM	PMID24055076	ChEMBL
IC50	4.083 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	4.1 nM	PMID17149859, PMID17149858	BindingDB,ChEMBL
IC50	4.8 nM	PMID19282177	BindingDB,ChEMBL
IC50	8.9 nM	, None, PMID23682308	BindingDB,ChEMBL
IC50	15.5 nM	PMID25783191	ChEMBL
IC50	16.0 nM	PMID25783191	BindingDB
IC50	17.0 nM	PMID17407276	BindingDB,ChEMBL
IC50 ratio	98.0 -	PMID1851846	ChEMBL
Imax	79.0 %	PMID17407276	ChEMBL
Imax	93.0 %	PMID19282177	ChEMBL
Kb	0.59 nM	PMID17980586	ChEMBL
Kd	0.05012 nM	PMID18298057	ChEMBL
Ke	0.05 nM	PMID18298057	ChEMBL
Ke	0.34 nM	PMID21247164	ChEMBL
Ke	0.59 nM	PMID16913723, PMID15456250, PMID19253983, PMID17887741, PMID24973818	ChEMBL
Ke	3.35 nM	PMID16366600	ChEMBL
Ke	3.6 nM	PMID17685652, PMID21116435	ChEMBL
Ke	5.4 nM	PMID17887741	ChEMBL
Ki	0.07 nM	PMID21621410	BindingDB
Ki	0.07 nM	PMID21621410	ChEMBL
Ki	0.11 nM	PMID15808478, PMID19282177, PMID19027293	BindingDB
Ki	0.11 nM	PMID15808478, PMID19282177, PMID19027293	ChEMBL
Ki	0.199 - 0.71 nM	PMID9686407, PMID24973897	IUPHAR
Ki	0.1995 nM	PMID26632862	ChEMBL
Ki	0.199526 nM	PMID26632862	BindingDB
Ki	0.2 nM	PMID16913723, PMID19253983, PMID12672258, PMID12825957, PMID17887741, PMID9686407, PMID17004724, PMID15456250, PMID24973818	BindingDB,ChEMBL
Ki	0.2 nM	PMID16913723, PMID19253983, PMID12672258, PMID12825957, PMID17887741, PMID17004724, PMID24973818, PMID15456250	BindingDB
Ki	0.23 nM	PMID17407276	BindingDB
Ki	0.23 nM	PMID17407276	ChEMBL
Ki	0.26 nM	PMID19199782, PMID24144240, PMID19217280	ChEMBL
Ki	0.26 nM	PMID19199782, PMID19217280	BindingDB
Ki	0.2754 nM	PMID26632862	ChEMBL
Ki	0.275423 nM	PMID26632862	BindingDB
Ki	0.3 nM	PMID19683449, PMID18298057	ChEMBL
Ki	0.3 nM	PMID19683449	BindingDB
Ki	0.34 nM	PMID23721804	ChEMBL
Ki	0.45 nM	PMID25513968	BindingDB
Ki	0.45 nM	PMID25513968	ChEMBL
Ki	0.56 nM	PMID9767649	BindingDB,ChEMBL
Ki	0.59 nM	PMID17720493	BindingDB
Ki	0.59 nM	PMID17720493	ChEMBL
Ki	0.7 nM	, None, PMID23682308	BindingDB,ChEMBL
Ki	0.74 nM	PMID12513698	BindingDB
Ki	0.87 nM	PMID17980586, PMID17720493	BindingDB
Ki	0.87 nM	PMID17980586, PMID17720493	ChEMBL
Ki	1.0 nM	PMID17149858, PMID17149859, PMID8114680	BindingDB,ChEMBL
Ki	1.15 nM	PMID21621410	ChEMBL
Ki	1.2 nM	PMID21621410	BindingDB
Ki	1.5 nM	PMID7815359	BindingDB
Ki	1.657 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1.85 nM	PMID24055076	ChEMBL
Ki	1.995 nM	PMID21193310	ChEMBL
Ki	2.0 nM	PMID21193310	BindingDB
Ki	2.7 nM	PMID21621410	BindingDB
Ki	2.71 nM	PMID21621410	ChEMBL
Ki	3.6 nM	PMID19683449	BindingDB,ChEMBL
Ratio	0.03 -	PMID1851846	ChEMBL

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