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GLASS

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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	MLS000696689
Molecular formula	C19H18N4O3S
IUPAC name	N-(3,4-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
Molecular weight	382.438
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.2
Synonyms	N-(3,4-dimethoxyphenyl)-2-[(6-pyridin-2-ylpyridazin-3-yl)thio]acetamide HMS2539P12 MolPort-007-741-186 CHEMBL1441532 SMR000237167 MCULE-1672358989 AKOS001929503 N-(3,4-dimethoxyphenyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide F2005-0082 ZINC8683816 [ Show all ]
Inchi Key	FPWPWYBWMYTWFT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18N4O3S/c1-25-16-8-6-13(11-17(16)26-2)21-18(24)12-27-19-9-7-15(22-23-19)14-5-3-4-10-20-14/h3-11H,12H2,1-2H3,(H,21,24)
PubChem CID	12006154
ChEMBL	CHEMBL1441532
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	92435.0 nM	PubChem BioAssay data set	ChEMBL

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