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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	N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
Molecular formula	C21H26FN3O2
IUPAC name	N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
Molecular weight	371.456
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	3-[4-(2-fluorophenyl)piperazino]-N-p-phenetyl-propionamide MCULE-9159247815 SR-01000595091-3 BDBM114618 N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)-1-piperazinyl]propanamide cid_4226151 SR-01000595091 AC1N5XR7 MLS000521309 ZINC2939538 HMS2464F11 SR-01000595091-1 AKOS002132319 MolPort-007-953-084 CHEMBL1560475 SMR000131717 [ Show all ]
Inchi Key	BZQNGDFWFBIFAC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26FN3O2/c1-2-27-18-9-7-17(8-10-18)23-21(26)11-12-24-13-15-25(16-14-24)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26)
PubChem CID	4226151
ChEMBL	CHEMBL1560475
IUPHAR	N/A
BindingDB	114618
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	92470.0 nM	N/A	BindingDB
EC50	92572.0 nM	PubChem BioAssay data set	ChEMBL

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