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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL320882
Molecular formula	C21H24Cl2N2O
IUPAC name	2-(3,4-dichlorophenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
Molecular weight	391.336
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.6
Synonyms	BDBM50007377 D03SAV 2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide SCHEMBL6639282 ICI-199,441 2-(3,4-dichlorophenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide AC1ND7AD L001966 3,4-Dichloro-N-methyl-N-[1-(phenyl)-2-(1-pyrrolidinyl)ethyl]benzeneacetamide [ Show all ]
Inchi Key	AEJOEPSMZCEYJN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3
PubChem CID	4545429
ChEMBL	CHEMBL320882
IUPHAR	N/A
BindingDB	50007377
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	53.0 nM	PMID15482950	BindingDB,ChEMBL

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