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	Ketobemidone
Molecular formula	C15H21NO2
IUPAC name	1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one
Molecular weight	247.338
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.0
Synonyms	SCHEMBL24574 1-(4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl)-1-propanone 1-[4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl]-1-propanone # A 21 Lundbeck Cetobemidona CHEMBL47072 CS-6592 DTXSID00196977 K 4710 KETONE, ETHYL 4-(m-HYDROXYPHENYL)-1-METHYLPIPERIDYL WLN: T6NTJ A1 BV2 DR CQ 1-Propanone, 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)- 4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl ethyl ketone ALFGKMXHOUSVAD-UHFFFAOYSA-N Cetobemidone [INN-French] Ciba 7115 Cymidon (VAN) Ethyl [4-(m-hydroxyphenyl)-1-methyl]-4-piperidyl ketone Ketobemidone [INN:BAN] LS-87203 1-(4-(3-hydroxyphenyl)-1- methyl-4-piperidinyl)-1-propanone 1-Propanone, 1-[4-(m-hydroxyphenyl)-1-methyl-4-piperidyl]- 469-79-4 C11792 CHEBI:6125 Cliradone DB06738 Hoechst 10720 Ketogae NSC117863 UNII-PQS1L514CF 1-Propanone, 1-(4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl)- 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one AC1L1UHQ Cetobemidona [INN-Spanish] Chetobemidone Cymidoe EINECS 207-421-0 Ketorax ZINC1600 1-Propanone, 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)- (8CI) 4-(m-Hydroxyphenyl)-1-methyl-4-propionylpiperidine API0014235 Cetobemidonum Cliradoe D08100 Ethyl {[4-(m-hydroxyphenyl)-1-methyl]-4-piperidyl} ketone Ketobemidonum NSC 117863 1-(4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl)-1-propanone 1-[4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl]-1-propanone 5965-49-1 (hydrochloride) Cetobemidon Cliradon\|\|\|Ketobemidone DEA No. 9628 HY-B2092 Ketogan PQS1L514CF WIN 1539 1-Propanone, 1-(4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl)- (9CI) 1-[4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl]-1-propanone AKOS022507096 Cetobemidone Chetobemidone [DCIT] Cymidon Ethyl (4-(m-hydroxyphenyl)-1-methyl)-4-piperidyl ketone Ketobemidone (INN) KEYTOBEMIDONE HYDROCHLORIDE {1-[4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl]-1-propanone} 1-Propanone, 1-[4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl]- 4-21-00-06106 (Beilstein Handbook Reference) BRN 0218226 Cetobemidonum [INN-Latin] Cliradon FT-0670614 Ketodur NSC-117863 [ Show all ]
Inchi Key	ALFGKMXHOUSVAD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3
PubChem CID	10101
ChEMBL	CHEMBL47072
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB06738
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

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