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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	SMR000026289
Molecular formula	C25H31FN4O3S
IUPAC name	1-(cyclobutanecarbonyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindole-5-sulfonamide
Molecular weight	486.606
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.0
Synonyms	1-(cyclobutylcarbonyl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}indoline-5-sulfonamide MLS000091742 CCG-28599 ZINC61943425 HMS2323F17 AC1MMGZ0 MLS000876877 1-(cyclobutanecarbonyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindole-5-sulfonamide MCULE-1819663550 AKOS001799420 CHEMBL1508256 [ Show all ]
Inchi Key	FQARDFZKKUJJKS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H31FN4O3S/c26-22-6-1-2-7-24(22)29-16-14-28(15-17-29)13-11-27-34(32,33)21-8-9-23-20(18-21)10-12-30(23)25(31)19-4-3-5-19/h1-2,6-9,18-19,27H,3-5,10-17H2
PubChem CID	3238607
ChEMBL	CHEMBL1508256
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	92456.0 nM	PubChem BioAssay data set	ChEMBL

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