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	HYDROCODONE
Molecular formula	C18H21NO3
IUPAC name	(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight	299.37
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.2
Synonyms	125-29-1 Morphinan-6-one, 4,5-epoxy-3-methoxy-17-methyl-, (5alpha)- (9CI) 4,5alpha-Epoxy-3-methoxy-17-methylmorphinan-6-one NCGC00159317-02 9007-52-7 opioid1 CHEMBL1457 ZINC1280665 DEA No. 9193 GTPL7081 Hydrocodon Hydrocodone prodrug (Bio-MD/immediate release, pain), PharmacoFore Hydrocone KP-201 hydrocodone prodrug Lortab (TN) 3-methoxy-17-methyl-4,5alpha-epoxymorphinan-6-one Morphinan-6-one, 4,5alpha-epoxy-3-methoxy-17-methyl- (8CI) Norgan (TN) Bekadid SCHEMBL2987 D08045 Dicodid (TN) HSDB 3097 Hydrocodone 0.1 mg/ml in Methanol Hydrocodone prodrug (oral, pain), KemPharm Hydrovo (TN) (-)-Dihydrocodeinone Morphinan-6-one, 4,5-alpha-epoxy-3-methoxy-17-methyl- 4,5.alpha.-Epoxy-3-methoxy-17-methylmorphinan-6-one Morphinan-6-one,5.alpha.-epoxy-3-methoxy-17-methyl- 6YKS4Y3WQ7 NSC-19044 CHEBI:5779 UNII-6YKS4Y3WQ7 Duodin (TN) Hycomine (TN) Hydrocodone polistirex [USAN] Hydrocodonum [INN-Latin] Kolikodol (TN) (5alpha)-17-methyl-3-(methyloxy)-4,5-epoxymorphinan-6-one 1469752-80-4 Morphinan-6-one, 4,5-epoxy-3-methoxy-17-methyl-, (5alpha)-(9CI) 4-27-00-03580 (Beilstein Handbook Reference) NCGC00159317-03 Anexsia (TN) Orthoxycol (TN) Codeinone, dihydro- Zohydro DICO hidrocodona Hydrocodone prodrug (Bio-MD/MPAR/oral, pain), PharmacoFore Hydroconum LLPOLZWFYMWNKH-CMKMFDCUSA-N LS-92156 34195-34-1 (tartrate (1:1), hydrate (2:5)) Morphinan-6-one, 4,5alpha-epoxy-3-methoxy-17-methyl-(8CI) 50678-79-0 Novahistex (TN) BRN 0094193 Symtan (TN) D0C2DS Dihydrocodeinone Hycet (TN) Hydrocodone 1.0 mg/ml in Methanol Hydrocodone [INN:BAN] Idrocodone (1S,5R,13R,17R)-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 Morphinan-6-one, 4,5-epoxy-3-methoxy-17-methyl-, (5alpha)- 4,5alpha-epoxy-3-methoxy-17-methyl-morphinan-6-one Multacodin NSC19044 WLN: T B6566 B6/CO 4ABBC R BX FV HO PN GHT&&TTJ JO1 P1 DB00956 EINECS 204-733-9 Hydrocodeinonebitartrate Hydrocodone prodrug (Bio-MD, pain), PharmacoFore Hydrocon KP-201 1037-91-8 17-methyl-4,5alpha-epoxy-3-methoxymorphinan-6-one Morphinan-6-one, 4,5alpha-epoxy-3-methoxy-17-methyl- 4aH-8,5-bcd]furan-5-(6H)-one, 7,7a,8,9-tetrahydro-3-methoxy-12-methyl- Norco (TN) BDBM50386689 PF-06 program Codinovo Dicodid Hidrocodona [INN-Spanish] Hydrocodone (INN) Hydrocodone prodrug (Bio-MD/MPAR/oral/immediate release, pain), PharmacoFore Hydrokon (TN) Lorcet (TN) Mercodinone (TN) 4,5-alpha-Epoxy-3-methoxy-17-methylmorphinan-6-one Morphinan-6-one,5-epoxy-3-methoxy-17-methyl-, (5.alpha.)- 6-Oxo-3-methoxy-N-methyl-4,5-epoxymorphinan NSC 19044 C08024 Synkonin (TN) D0X5KF DTXSID8023131 Hycodan (TN) Hydrocodone polistirex Hydrocodonum Idrocodone [DCIT] (4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one [ Show all ]
Inchi Key	LLPOLZWFYMWNKH-CMKMFDCUSA-N
Inchi ID	InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
PubChem CID	5284569
ChEMBL	CHEMBL1457
IUPHAR	7081
BindingDB	50386689
DrugBank	DB00956
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
Ki	2.0 nM	PMID22439881	IUPHAR
Ki	9.5 nM	PMID22439881	BindingDB,ChEMBL

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