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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	AC1NU6H5
Molecular formula	C20H16N2O2
IUPAC name	[(E)-[phenyl(pyridin-2-yl)methylidene]amino] 2-methylbenzoate
Molecular weight	316.36
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.9
Synonyms	MCULE-6637091362 A2047/0086104 phenyl(2-pyridinyl)methanone O-(2-methylbenzoyl)oxime STK710432 (1E)-2-phenyl-2-(2-pyridyl)-1-azavinyl 2-methylbenzoate MLS000573612 SMR000195401 CHEMBL3190740 [(E)-[phenyl(pyridin-2-yl)methylidene]amino] 2-methylbenzoate (2-methylphenyl)({[(E)-phenyl(pyridin-2-yl)methylidene]amino}oxy)methanone MolPort-002-207-334 AKOS001756318 ST4047645 [ Show all ]
Inchi Key	IQFGCAZATSKXLR-ZBJSNUHESA-N
Inchi ID	InChI=1S/C20H16N2O2/c1-15-9-5-6-12-17(15)20(23)24-22-19(16-10-3-2-4-11-16)18-13-7-8-14-21-18/h2-14H,1H3/b22-19+
PubChem CID	5395535
ChEMBL	CHEMBL3190740
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	92460.0 nM	PubChem BioAssay data set	ChEMBL

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