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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	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	CHEBI:91663 Nalone (Salt/Mix) 12-Allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furan-5-one MCULE-7816779766 Normorphinone, N-allyl-dihydro-14-hydroxy- BRD-A37541666-003-01-6 Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5.alpha.)- SCHEMBL10031249 CHEMBL609673 17-Allyl-4,5-.alpha.-epoxy-3,14-dihydroxymorphinan-6-one AC1L1I51 Morphinan-6-one, 17-allyl-4,5.alpha.-epoxy-3,14-dihydroxy- NSC_10064 CAS_465-65-6 Morphinan-6-one, 4,5.alpha.-epoxy-3,14-dihydroxy-17-(2-propenyl)- UZHSEJADLWPNLE-UHFFFAOYSA-N L000674 Narcan (Salt/Mix) 4aH-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5(6H)-one, N-allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy- BDBM86260 Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)-, (5.alpha.)- Oprea1_030545 [ Show all ]
Inchi Key	UZHSEJADLWPNLE-UHFFFAOYSA-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
PubChem CID	4425
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86260
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.66 nM	PMID19027293	PDSP
Ki	0.79 nM	PMID17407276	PDSP
Ki	0.93 nM	PMID8114680	PDSP
Ki	0.98 nM	PMID20055417	PDSP
Ki	1.35 nM	PMID7932177	PDSP
Ki	1.4 nM	PMID7815359, PMID9686407	PDSP
Ki	3.63 nM	PMID12747782	PDSP
Ki	3.7 nM	PMID18313920	BindingDB
Ki	3.7 nM	PMID18313920	PDSP
Ki	1000.0 nM	PMID7932177, PMID7815359	PDSP

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