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	Delta-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRD1
Synonym	D-OR-1 DOR opioid receptor OP1 DOP DOPr DOR-1 Delta receptor [ Show all ]
Disease	Cough Overactive bladder disorder Bladder disease Moderate-to-severe pain Diarrhea-predominant IBS Major depressive disorder Urinary incontinence Rheumatoid arthritis Premature ejaculation Pain Acute migraine Ischemic heart diseases Acute nonspecific diarrhea; Chronic diarrhea associated with inflammatory bowel disease Alcohol use disorders Anxiety disorder [ Show all ]
Length	372
Amino acid sequence	MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
UniProt	P41143
Protein Data Bank	4rwd, 4rwa, 4n6h
GPCR-HGmod model	P41143
3D structure model	This structure is from PDB ID 4rwd.
BioLiP	BL0303696,BL0303697, BL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700
Therapeutic Target Database	T58992
ChEMBL	CHEMBL236
IUPHAR	317
DrugBank	BE0000420

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	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 WLN: T6NTJ A1 BV2 DR CQ 1-Propanone, 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)- 1-Propanone, 1-[4-(m-hydroxyphenyl)-1-methyl-4-piperidyl]- 469-79-4 C11792 CHEBI:6125 Cliradone DB06738 Hoechst 10720 Ketogae NSC117863 1-(4-(3-hydroxyphenyl)-1- methyl-4-piperidinyl)-1-propanone 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one AC1L1UHQ Cetobemidona [INN-Spanish] Chetobemidone Cymidoe EINECS 207-421-0 Ketorax UNII-PQS1L514CF 1-Propanone, 1-(4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl)- 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 ZINC1600 1-[4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl]-1-propanone 5965-49-1 (hydrochloride) Cetobemidon Cliradon\|\|\|Ketobemidone DEA No. 9628 HY-B2092 Ketogan PQS1L514CF 1-(4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl)-1-propanone 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 WIN 1539 1-Propanone, 1-(4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl)- (9CI) 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 {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 SCHEMBL24574 1-(4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl)-1-propanone [ 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