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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	MLS001116397
Molecular formula	C20H19ClN4O5S2
IUPAC name	5-chloro-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide
Molecular weight	494.965
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.6
Synonyms	5-chloro-2-(ethylsulfonyl)-N-{4-[methyl(phenyl)sulfamoyl]phenyl}pyrimidine-4-carboxamide CHEMBL1416089 NCGC00115074-01 5-chloro-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide HMS1843F08 ZINC8611965 5-chloranyl-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide BDBM54838 MLS003880625 5-chloro-2-esyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide cid_16012896 SMR000625584 MCULE-5762921859 5-chloro-2-(ethylsulfonyl)-N-(4-{[methyl(phenyl)amino]sulfonyl}phenyl)pyrimidine-4-carboxamide MolPort-000-399-417 5-chloro-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-pyrimidinecarboxamide D053-0371 STK883726 AKOS001872932 [ Show all ]
Inchi Key	BQRKTURWLVUUPM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19ClN4O5S2/c1-3-31(27,28)20-22-13-17(21)18(24-20)19(26)23-14-9-11-16(12-10-14)32(29,30)25(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,23,26)
PubChem CID	16012896
ChEMBL	CHEMBL1416089
IUPHAR	N/A
BindingDB	54838
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	<32000.0 nM	PubChem BioAssay data set	ChEMBL

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