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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	MLS000547944
Molecular formula	C19H21ClN4
IUPAC name	2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
Molecular weight	340.855
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.5
Synonyms	HMS2402B03 2-{[4-(3-chlorophenyl)-1-piperazinyl]methyl}-1-methyl-1H-benzimidazole AQ-360/43173483 SCHEMBL4154137 CHEMBL1440652 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole BDBM83296 SMR000115764 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1-methylbenzimidazole cid_851992 2-[[4-(3-chlorophenyl)piperazino]methyl]-1-methyl-benzimidazole MolPort-002-847-894 AC1LGUE0 ZINC19923764 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1-methyl-benzimidazole [ Show all ]
Inchi Key	DGGCMRLNBJCGGO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21ClN4/c1-22-18-8-3-2-7-17(18)21-19(22)14-23-9-11-24(12-10-23)16-6-4-5-15(20)13-16/h2-8,13H,9-12,14H2,1H3
PubChem CID	851992
ChEMBL	CHEMBL1440652
IUPHAR	N/A
BindingDB	83296
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	15708.0 nM	PubChem BioAssay data set	ChEMBL

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