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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	MLS000106452
Molecular formula	C17H24FN3O
IUPAC name	1-[4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone
Molecular weight	305.397
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.0
Synonyms	Cambridge id 5410004 SMR000103419 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone cid_743199 SR-01000208151-3 AC1LEWVF MolPort-045-968-224 SR-01000208151 1-[4-[4-(2-fluorophenyl)piperazino]piperidino]ethanone HMS2441C20 BDBM38235 Oprea1_549991 1-[4-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidinyl]ethanone CHEMBL1721257 SR-01000208151-1 [ Show all ]
Inchi Key	DGZHDCOAURPHLR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H24FN3O/c1-14(22)19-8-6-15(7-9-19)20-10-12-21(13-11-20)17-5-3-2-4-16(17)18/h2-5,15H,6-13H2,1H3
PubChem CID	743199
ChEMBL	CHEMBL1721257
IUPHAR	N/A
BindingDB	38235
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	92405.0 nM	PubChem BioAssay data set	ChEMBL
EC50	92470.0 nM	N/A	BindingDB

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