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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	MLS000734475
Molecular formula	C22H30ClN3O2
IUPAC name	ethyl 4-[(4-chlorophenyl)methyl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine-4-carboxylate
Molecular weight	403.951
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.1
Synonyms	MolPort-005-087-888 ethyl 4-(4-chlorobenzyl)-1-[1-methyl-3-(1H-pyrazol-1-yl)propyl]-4-piperidinecarboxylate MCULE-7046165253 SMR000319248 ethyl 4-(4-chlorobenzyl)-1-[1-methyl-3-(1H-pyrazol-1-yl)propyl]piperidine-4-carboxylate CHEMBL1872670 HMS2675B21 [ Show all ]
Inchi Key	DCJXDQFEKZGDHZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H30ClN3O2/c1-3-28-21(27)22(17-19-5-7-20(23)8-6-19)10-15-25(16-11-22)18(2)9-14-26-13-4-12-24-26/h4-8,12-13,18H,3,9-11,14-17H2,1-2H3
PubChem CID	16188620
ChEMBL	CHEMBL1872670
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	92454.0 nM	PubChem BioAssay data set	ChEMBL

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