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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	MLS000108391
Molecular formula	C19H24N2O4
IUPAC name	[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
Molecular weight	344.411
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.4
Synonyms	[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone 4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazinyl 2-furyl ketone HMS2160J04 SR-01000475752 STK232559 BAS 03050295 [4-(3-ethoxy-4-methoxy-benzyl)piperazino]-(2-furyl)methanone CHEMBL1607440 Oprea1_431499 [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-(2-furanyl)methanone AC1LG1AF HMS3312C01 SR-01000475752-3 ZINC19789260 BDBM38788 MolPort-001-987-620 [4-(3-ethoxy-4-methoxybenzyl)piperazin-1-yl](furan-2-yl)methanone cid_787169 SMR000104349 [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone AKOS000548343 MCULE-8138248565 ST50015444 [4-(3-Ethoxy-4-methoxy-benzyl)-piperazin-1-yl]-furan-2-yl-methanone Oprea1_358989 [ Show all ]
Inchi Key	JATMPZCAMODSSH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N2O4/c1-3-24-18-13-15(6-7-16(18)23-2)14-20-8-10-21(11-9-20)19(22)17-5-4-12-25-17/h4-7,12-13H,3,8-11,14H2,1-2H3
PubChem CID	787169
ChEMBL	CHEMBL1607440
IUPHAR	N/A
BindingDB	38788
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	92451.0 nM	PubChem BioAssay data set	ChEMBL
EC50	92470.0 nM	N/A	BindingDB

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