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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	SMR000082072
Molecular formula	C24H29N7O
IUPAC name	4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine
Molecular weight	431.544
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.5
Synonyms	MCULE-5865533311 STK203246 4-[3,4-dihydro-1(2H)-quinolinyl]-6-{[4-(3-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-amine AC1LT38F MolPort-000-488-743 CHEMBL1576495 SR-01000298183-1 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine MLS000052567 ZINC1419213 4-{[4-(3-methoxyphenyl)piperazinyl]methyl}-6-(1,2,3,4-tetrahydroquinolyl)-1,3, 5-triazine-2-ylamine AKOS002204106 HMS2298L09 ST50132732 4-(3,4-dihydroquinolin-1(2H)-yl)-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-1,3,5-triazin-2-amine 726198-71-6 MLS002548480 SR-01000298183 4-(3,4-dihydro-1(2H)-quinolinyl)-6-{[4-(3-methoxyphenyl)-1-piperazinyl]methyl}-1,3,5-triazin-2-amine [ Show all ]
Inchi Key	DRBZYDQLNLYGTC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29N7O/c1-32-20-9-4-8-19(16-20)30-14-12-29(13-15-30)17-22-26-23(25)28-24(27-22)31-11-5-7-18-6-2-3-10-21(18)31/h2-4,6,8-10,16H,5,7,11-15,17H2,1H3,(H2,25,26,27,28)
PubChem CID	1500638
ChEMBL	CHEMBL1576495
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	92445.0 nM	PubChem BioAssay data set	ChEMBL

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