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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000093376
Molecular formula	C19H29N3O3
IUPAC name	N-[3-[butyl(ethyl)amino]propyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
Molecular weight	347.459
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.2
Synonyms	AKOS001848824 HMS2455G21 N-{3-[butyl(ethyl)amino]propyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide AC1MMUIF SMR000028994 CHEMBL1432055 N-[3-[butyl(ethyl)amino]propyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide [ Show all ]
Inchi Key	IYBVMICTDCGOGB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H29N3O3/c1-3-5-12-22(4-2)13-8-11-20-18(23)14-17-19(24)21-15-9-6-7-10-16(15)25-17/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3,(H,20,23)(H,21,24)
PubChem CID	3244629
ChEMBL	CHEMBL1432055
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	92517.0 nM	PubChem BioAssay data set	ChEMBL

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