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GLASS

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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	Morphine-6-glucuronide
Molecular formula	C23H27NO9
IUPAC name	(2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular weight	461.467
Hydrogen bond acceptor	10
Hydrogen bond donor	5
XlogP	-2.9
Synonyms	CHEMBL1330 Morphine 6-beta-D-Glucuronide 0.1 mg/ml in Water 32205-91-7 BDBM50370478 Glucopyranosiduronic acid, 7,8-didehydro-4,5-alpha-epoxy-3-hydroxy-17-methylmorphinan-6-alpha-yl-, beta-D- MORPHINE 6-GLUCURONIDE(MINOR) SCHEMBL152647 (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,5R,13R,14S,17R)-10-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0;{1,13}.0;{5,17}.0;{7,18}]octadeca-7(18),8,10,15-tetraen-14-yl]oxy}oxane-2-carboxylic acid CHEBI:80581 Morphine 6-beta-D-glucopyranosiduronide Morphine-6-beta-D-glucuronide solution, 1.0 mg/mL in methanol: water (2:8), ampule of 1 mL, certified reference material 20290-10-2 D01UXW Morphine 6-beta-D-Glucuronide 1.0 mg/ml in Water morphine-glucuronide beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-yl GNJCUHZOSOYIEC-GAROZEBRSA-N MORPHINE GLUCURONIDE UNII-64Y9KYM60R (2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Morphine 6-beta-D-Glucuronide Morphine-6-beta-D-glucuronide solution, 100 mug/mL in methanol: water (1:1), ampule of 1 mL, certified reference material 28932-95-8 64Y9KYM60R DTXSID40174158 Morphine 6-glucuronide PDSP2_000436 C16578 LS-71638 Morphine glucuronide [INN] ZINC14089740 155755-06-9 [ Show all ]
Inchi Key	GNJCUHZOSOYIEC-GAROZEBRSA-N
Inchi ID	InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1
PubChem CID	5360621
ChEMBL	CHEMBL1330
IUPHAR	N/A
BindingDB	50370478
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	12.9 nM	PMID15745801	ChEMBL
Ki	13.0 nM	PMID15745801	BindingDB
Ki	63.0 nM	PMID25494650	BindingDB,ChEMBL

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