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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	MLS000771237
Molecular formula	C19H19N3O3S
IUPAC name	4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
Molecular weight	369.439
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	AKOS001081150 MCULE-7680504003 4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide CHEMBL1312303 SMR000376152 KSC-6-222 BDBM58005 4-(4-methoxyphenoxy)-N-[4-(2-pyridinyl)-2-thiazolyl]butanamide cid_2578872 ZINC12475778 AC1M99KF KUC105632N MolPort-004-064-764 4-(4-methoxyphenoxy)-N-[4-(2-pyridyl)thiazol-2-yl]butyramide HMS2699I20 [ Show all ]
Inchi Key	ANRQEJCUVUFCLU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19N3O3S/c1-24-14-7-9-15(10-8-14)25-12-4-6-18(23)22-19-21-17(13-26-19)16-5-2-3-11-20-16/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,21,22,23)
PubChem CID	2578872
ChEMBL	CHEMBL1312303
IUPHAR	N/A
BindingDB	58005
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4592.0 nM	N/A	BindingDB

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