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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	MLS000059215
Molecular formula	C23H25N3O
IUPAC name	1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
Molecular weight	359.473
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.1
Synonyms	AC1LQLSN 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-yl-piperazine Oprea1_374709 1-[3-(benzyloxy)benzyl]-4-(pyridin-2-yl)piperazine HMS2433E21 STL328292 1-(3-benzoxybenzyl)-4-(2-pyridyl)piperazine AKOS022096006 MLS002539761 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine CHEMBL1379426 SCHEMBL12259121 AB00085429-01 MCULE-3960651724 ZINC1229294 1-[(3-phenylmethoxyphenyl)methyl]-4-(2-pyridinyl)piperazine BDBM62764 MolPort-002-150-263 1-[3-(benzyloxy)benzyl]-4-(2-pyridinyl)piperazine cid_1378308 SMR000069679 [ Show all ]
Inchi Key	IKWKOVXTRGCSEM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25N3O/c1-2-7-20(8-3-1)19-27-22-10-6-9-21(17-22)18-25-13-15-26(16-14-25)23-11-4-5-12-24-23/h1-12,17H,13-16,18-19H2
PubChem CID	1378308
ChEMBL	CHEMBL1379426
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	92535.0 nM	PubChem BioAssay data set	ChEMBL

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