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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	SR-01000181557
Molecular formula	C22H35N3O4
IUPAC name	ethyl 4-[[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazine-1-carboxylate
Molecular weight	405.539
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.0
Synonyms	ethyl 4-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)benzyl]piperazine-1-carboxylate SMR000499474 4-[[4-[2-hydroxy-3-(1-piperidinyl)propoxy]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester ethyl 4-{4-[2-hydroxy-3-(1-piperidinyl)propoxy]benzyl}-1-piperazinecarboxylate SR-01000181557-3 CHEMBL1313562 MLS001008223 ethyl 4-[[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazine-1-carboxylate BDBM114621 HMS2835M14 cid_23723421 MolPort-005-158-431 4-[4-(2-hydroxy-3-piperidino-propoxy)benzyl]piperazine-1-carboxylic acid ethyl ester ethyl 4-[[4-(2-oxidanyl-3-piperidin-1-yl-propoxy)phenyl]methyl]piperazine-1-carboxylate SR-01000181557-1 MCULE-9212712492 [ Show all ]
Inchi Key	GHTYYFHWUZRTGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H35N3O4/c1-2-28-22(27)25-14-12-24(13-15-25)16-19-6-8-21(9-7-19)29-18-20(26)17-23-10-4-3-5-11-23/h6-9,20,26H,2-5,10-18H2,1H3
PubChem CID	23723421
ChEMBL	CHEMBL1313562
IUPHAR	N/A
BindingDB	114621
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
EC50	92470.0 nM	N/A	BindingDB

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