Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	oxycodone
Molecular formula	C18H21NO4
IUPAC name	(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight	315.369
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.2
Synonyms	Oxycodeinon 4aH-8,5-bcd]furan-5(6H)-one, 7,7a,8,9-tetrahydro-7a-hydroxy-3-methoxy-12-methyl- Oxycodone Hcl Apo-oxycodone CR Oxycone Pancodone Retard D05312 PF06 Dihydrohydroxycondeinone Supendol [Canada] Endocet (TN) Tylox (TN) Eutagen Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl- (8CI) Ossicodone [DCIT] (5alpha)-14-hydroxy-17-methyl-3-(methyloxy)-4,5-epoxymorphinan-6-one 76-42-6 Oxycodone [USAN:INN:BAN] BRN 0043446 Oxyfast Codeinone, dihydro-14-hydroxy- Percocet (TN) Roxicet (TN) Dinarkon Tekodin Eubine Xtampza Hydroxycodeinon Morphinan-6-one,5.alpha.-epoxy-14-hydroxy-3-methoxy-17-methyl- Oxicodona [INN-Spanish] 14-hydroxy-3-methoxy-17-methyl-4,5alpha-epoxymorphinan-6-one 4,5.alpha.-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one Oxycodone 1.0 mg/ml in Methanol AKOS015962233 Oxycodonum [INN-Latin] CD35PMG570 Oxynorm Combunox (TN) Percolone Dihydro-14-hydroxycodeinone SCHEMBL2737 EINECS 200-960-2 Thekodin Eucodalum Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5alpha)- NSC19043 (1S,5R,13R,17S)-17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0;{1,13}.0;{5,17}.0;{7,18}]octadeca-7(18),8,10-trien-14-one Oxiconum Oxycodeinone Oxycodone hydrochloride Avridi Oxycontin CHEMBL656 Pancodone retard (United Kingdom) D0J0TD PTI-821 Dihydrone Supeudol Endodan (TN) UNII-CD35PMG570 GTPL7093 Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-(8CI) Oxanest 124-90-3 Oxycodone (USAN/INN) AC-16043 Oxycodone/ naloxone controlled release BRUQQQPBMZOVGD-XFKAJCMBSA-N OxyIR Codeinone, dihydrohydroxy- Percodan DB00497 Roxicodone Diphydrone Tekodin (free base) Eubine [France] Xtampza ER LS-92148 NSC 19043 (-)-14-Hydroxydihydrocodeinone Oxicon 14-Hydroxydihydrocodeinone 4,5alpha-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one Oxycodone Concentrate AN-22961 Oxycon CHEBI:7852 Pancodine D03SKD PF-00345439 Dihydrohydroxycodeinone Supendol Endine (Australia) Theocodin Eukodal Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl- Ossicodone (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one Oxikon Oxycodon 6-deoxy-7,8-dihydro-14-hydroxy-3-O-methyl-6-oxomorphine Oxycodone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material BDBM50370595 Oxycontin (TN) Codeinone, 7,8-dihydro-14-hydroxy- Percobarb D0P6KE Remoxy Dihydroxycodeinone Tecodin Endone WLN: T B6566 B6/CO 4ABBC R BX FV HO PN GHT&&TTJ CQ JO1 P1 HSDB 3142 Morphinan-6-one,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5.alpha.)- Oxicodona 124-90-3 (hydrochloride) 4,5-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one Oxycodone 0.1 mg/ml in Methanol AC1Q4DTG Oxycodonum C08018 Oxyneo Codeinone,8-dihydro-14-hydroxy- Percodan (TN) DEA No. 9143 Roxiprin (TN) DTXSID5023407 Thecodine Eucodal ZINC403533 Morphinan-6-one, 4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl- NSC-19043 (-)-Oxycodone Oxicone [ Show all ]
Inchi Key	BRUQQQPBMZOVGD-XFKAJCMBSA-N
Inchi ID	InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
PubChem CID	5284603
ChEMBL	CHEMBL656
IUPHAR	N/A
BindingDB	50370595
DrugBank	DB00497
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
EC50	478.0 nM	N/A	BindingDB
EC50	500.0 nM	PMID23880538	ChEMBL
Inhibition	93.0 %	PMID23880538	ChEMBL
Ki	133.48 nM	N/A	BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417