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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	MLS001197120
Molecular formula	C24H20N2O4
IUPAC name	N-[2-methoxy-4-[(3-methylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
Molecular weight	400.434
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.7
Synonyms	CHEMBL1596869 N-[2-methoxy-4-[(3-methylphenyl)carbonylamino]phenyl]-1-benzofuran-2-carboxamide ZINC5754995 Oprea1_542435 BDBM66780 N-[2-methoxy-4-(m-toluoylamino)phenyl]coumarilamide SR-01000458348-1 cid_3962444 N-[2-methoxy-4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-2-benzofurancarboxamide AC1N0GE1 MolPort-002-938-834 SMR000555532 N-[2-methoxy-4-[(3-methylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide STK061503 MCULE-8890457294 N-{2-methoxy-4-[(3-methylbenzoyl)amino]phenyl}-1-benzofuran-2-carboxamide AKOS001661591 N-(2-methoxy-4-{[(3-methylphenyl)carbonyl]amino}phenyl)-1-benzofuran-2-carboxamide SR-01000458348 [ Show all ]
Inchi Key	CCNCCGSRFQMVNQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H20N2O4/c1-15-6-5-8-17(12-15)23(27)25-18-10-11-19(21(14-18)29-2)26-24(28)22-13-16-7-3-4-9-20(16)30-22/h3-14H,1-2H3,(H,25,27)(H,26,28)
PubChem CID	3962444
ChEMBL	CHEMBL1596869
IUPHAR	N/A
BindingDB	66780
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	<92448.0 nM	PubChem BioAssay data set	ChEMBL

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