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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	SMR000211820
Molecular formula	C23H21N5O2
IUPAC name	2-methyl-4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]quinoline
Molecular weight	399.454
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.4
Synonyms	A2409/0102076 MCULE-1722260992 STK068794 BDBM83317 Oprea1_580085 1-(2-methyl(4-quinolyl))-4-(5-nitro(8-quinolyl))piperazine cid_2885420 SR-01000452384-1 2-methyl-4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]quinoline AC1MEWOU MLS000587739 ZINC18121970 2-methyl-4-[4-(5-nitro-8-quinolinyl)-1-piperazinyl]quinoline HMS2540G07 ST053402 AKOS000442244 MolPort-000-824-650 CHEMBL1545927 SR-01000452384 2-methyl-4-[4-(5-nitro-8-quinolyl)piperazino]quinoline [ Show all ]
Inchi Key	BDDPXUZRHMQXHU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21N5O2/c1-16-15-22(17-5-2-3-7-19(17)25-16)27-13-11-26(12-14-27)21-9-8-20(28(29)30)18-6-4-10-24-23(18)21/h2-10,15H,11-14H2,1H3
PubChem CID	2885420
ChEMBL	CHEMBL1545927
IUPHAR	N/A
BindingDB	83317
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	<92489.0 nM	PubChem BioAssay data set	ChEMBL

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