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	Alpha-1D adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1D
Synonym	alpha1a/d-adrenoceptor adrenergic receptor delta1 Gpcr8 Adrd1 ADRA1R ADRA1A ADRA1 Adra-1 alpha 1D-adrenoceptor alpha 1D-adrenoreceptor alpha1D-adrenoceptor alpha1A/D alpha1A-adrenoceptor Alpha-adrenergic receptor 1a Alpha-1D adrenoreceptor Alpha-1D adrenoceptor Alpha-1A adrenergic receptor alpha1D-AR [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Congestive heart failure Diabetes Erectile dysfunction Fecal incontinence Glaucoma Hypertension Pediatric cancer Peripheral vascular disease Prostate disease Prostate hyperplasia [ Show all ]
Length	572
Amino acid sequence	MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWVVALVVSVGPLLGWKEPVPPDERFCGITEEAGYAVFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGVKRERGKASEVVLRIHCRGAATGADGAHGMRSAKGHTFRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRRRRPLWRVYGHHWRASTSGLRQDCAPSSGDAPPGAPLALTALPDPDPEPPGTPEMQAPVASRRKPPSAFREWRLLGPFRRPTTQLRAKVSSLSHKIRAGGAQRAEAACAQRSEVEAVSLGVPHEVAEGATCQAYELADYSNLRETDI
UniProt	P25100
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T53381
ChEMBL	CHEMBL223
IUPHAR	24
DrugBank	BE0004863, BE0000715

Ligand

Name	CHEMBL1796042
Molecular formula	C25H30N4O5
IUPAC name	1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-(4-nitrophenyl)piperidine-2,6-dione
Molecular weight	466.538
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.7
Synonyms	BDBM50418761
Inchi Key	AJUJJQYPOFVICO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30N4O5/c1-34-23-6-3-2-5-22(23)27-15-13-26(14-16-27)11-4-12-28-24(30)17-20(18-25(28)31)19-7-9-21(10-8-19)29(32)33/h2-3,5-10,20H,4,11-18H2,1H3
PubChem CID	53328508
ChEMBL	CHEMBL1796042
IUPHAR	N/A
BindingDB	50418761
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	67.61 nM	PMID21514979	BindingDB,ChEMBL

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