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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	MLS000039260
Molecular formula	C14H14N4O3
IUPAC name	4-(methoxymethyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)amino]-1H-pyrimidin-6-one
Molecular weight	286.291
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	0.9
Synonyms	6-(methoxymethyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)amino]-1H-pyrimidin-4-one DNDI1417132 SMR000040429 AKOS005715777 CHEMBL1492017 Oprea1_213976 6-(methoxymethyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)amino]pyrimidin-4-ol HMS2177P12 STL163811 BDBM43348 NCGC00021073-01 cid_659383 Oprea1_438899 AC1LD0RC MCULE-4669291953 NCGC00021073-02 [ Show all ]
Inchi Key	AYNYOFBZPWQVCY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N4O3/c1-8-3-4-10-11(5-8)21-14(16-10)18-13-15-9(7-20-2)6-12(19)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17,18,19)
PubChem CID	135449568
ChEMBL	CHEMBL1492017
IUPHAR	N/A
BindingDB	43348
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	<32000.0 nM	PubChem BioAssay data set	ChEMBL

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