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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	SMR000060792
Molecular formula	C23H31N3O5S
IUPAC name	1-(4-morpholin-4-ylsulfonylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
Molecular weight	461.577
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.7
Synonyms	CHEMBL1338034 716375-88-1 MLS000054454 AKOS034456036 MolPort-004-247-304 1-(4-morpholin-4-ylsulfonylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol HMS2493A20 Z56798518 AB00425574-10 MLS000879846 NCGC00036795-02 1-[4-(morpholine-4-sulfonyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol MCULE-2366770275 AC1MH9FZ MLS001074772 [ Show all ]
Inchi Key	AZQAZYFKYDDSGJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H31N3O5S/c27-21(18-24-10-12-25(13-11-24)20-4-2-1-3-5-20)19-31-22-6-8-23(9-7-22)32(28,29)26-14-16-30-17-15-26/h1-9,21,27H,10-19H2
PubChem CID	2998389
ChEMBL	CHEMBL1338034
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	92437.0 nM	PubChem BioAssay data set	ChEMBL

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