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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	MLS000720325
Molecular formula	C17H22N4S
IUPAC name	1-[2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(2-methylphenyl)thiourea
Molecular weight	314.451
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.4
Synonyms	AC1NOH79 HMS2577M17 1-[2-(dimethylamino)-2-(3-pyridinyl)ethyl]-3-(2-methylphenyl)thiourea BDBM83320 MolPort-007-632-993 1-[2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(2-methylphenyl)thiourea cid_5113115 SR-01000096490 AKOS001503565 MCULE-5457103133 1-[2-(dimethylamino)-2-(3-pyridyl)ethyl]-3-(o-tolyl)thiourea N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-N'-(2-methylphenyl)thiourea HMS1625J12 SR-01000096490-1 AKOS022042235 1-[2-(dimethylamino)-2-pyridin-3-yl-ethyl]-3-(2-methylphenyl)thiourea CHEMBL1308389 SMR000236203 [ Show all ]
Inchi Key	CGRAGOYECIKOMO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H22N4S/c1-13-7-4-5-9-15(13)20-17(22)19-12-16(21(2)3)14-8-6-10-18-11-14/h4-11,16H,12H2,1-3H3,(H2,19,20,22)
PubChem CID	5113115
ChEMBL	CHEMBL1308389
IUPHAR	N/A
BindingDB	83320
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	12489.0 nM	PubChem BioAssay data set	ChEMBL

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