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	Dextropropoxyphene
Molecular formula	C22H29NO2
IUPAC name	[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate
Molecular weight	339.479
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.2
Synonyms	Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, propanoate (ester), (S-(R,S))- D07809 Destropropossifene Dextropropoxyphene 1.0 mg/ml in Acetonitrile Doloxen (Salt/Mix) LS-46517 (+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-propionyloxybutane Proxyvon .alpha.-d-Propoxyphene XLMALTXPSGQGBX-GCJKJVERSA-N 469-62-5 alpha-D-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanol propionate C22H29NO2 Darvon (Salt/Mix) Dextropropoxifeno [INN-Spanish] Dextropropoxyphenum EINECS 207-420-5 propoxyphene (1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate SCHEMBL25405 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate, (+)- [(2S,3R)-4-dimethylamino-3-methyl-1,2-di(phenyl)butan-2-yl] propanoate AC1L1UHN Antalvic Benzeneethanol, .alpha.-[2-(dimethylamino)-1-methylethyl]-.alpha.-phenyl-, propanoate, [S-(R,S)]- CHEMBL1213351 DEA No. 9273 Dextropropoxyphene (INN) Dextroproxifeno [Spanish] GTPL7593 (+)-1,2-Diphenyl-2-propionoxy-3-methyl-4-dimethylaminobutane Proxagesic (S)-alpha-(2-(Dimethylamino)-1-methylethyl)-alpha-phenylbenzeneethanol propanoate UNII-S2F83W92TK 3818-94-8 alpha-(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-propionoxybutane Bulk dextropropoxyphene (non-dosage forms) D0D4PB Destropropossifene [DCIT] Dextropropoxyphene [INN:BAN] Doloxene (Salt/Mix) Methanol, compd. with (+-)-alpha-(2-dimethylamino)-1-methylethyl-alpha- phenylphenethyl propionate (1:1) (+)-alpha-propoxyphene Romidon (Salt/Mix) 1-Benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propionate, [S-(R,S)]- # ZINC1530769 alpha-D-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanol-propionat CAS_469-62-5 Dextropropoxyphen Dextropropoxyphenum [INN-Latin] Erantin (Salt/Mix) Propoxyphene, (+)- (2S,3R)-(+)-4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate(ester) SK 65 21086-94-2 Algafan BDBM82269 Benzeneethanol, alpha-((1R)-2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, propanoate (ester), (alphaS)- d-Propoxyphene Depromic Dextropropoxyphene 0.1 mg/ml in Acetonitrile Dolene (Salt/Mix) HSDB 3175 (+)-4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate Proxyphen .alpha.-(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol propionate ester USAF EL-84 4-Dimethylamino-3-methyl-1,2-diphenyl-2-propoxybutane alpha-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol propionate C07406 Darvon Dextropropoxifeno Dextropropoxyphene[INN:BAN] DTXSID1023524 Propoxypene (+)-Propoxyphene solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material S2F83W92TK 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), (2S,3R)- [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate Abalgin (Salt/Mix) alpha-D-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanol-propionat [German] CHEBI:51173 DB00647 Dextroproxifeno Femadol Propoxyphene-d (D)-PROPOXYPHENE UNII-II2G62OV6F component XLMALTXPSGQGBX-GCJKJVERSA-N 2621-61-6 alpha-(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol propionate ester Benzeneethanol, .alpha.-[2-(dimethylamino)-1-methylethyl]-.alpha.-phenyl-, propanoate (ester), [S-(R,S)]- [ Show all ]
Inchi Key	XLMALTXPSGQGBX-GCJKJVERSA-N
Inchi ID	InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1
PubChem CID	10100
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82269
DrugBank	DB00647
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