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-1A adrenergic receptor
Species	Bos taurus (Bovine)
Gene	ADRA1A
Synonym	Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVFLSGNASDSSNCTHPPPPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNVWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQKRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLTIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAQVGGSGVTSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFRPSETVFKIAFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRKQSSKHTLGYTLHAPSHVLEGQHKDLVRIPVGSAETFYKISKTDGVCEWKIFSSLPRGSARMAVARDPSACTTARVRSKSFLQVCCCLGPSTPSHGENHQIPTIKIHTISLSENGEEV
UniProt	P18130
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4892
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	IDAZOXAN
Molecular formula	C11H12N2O2
IUPAC name	2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
Molecular weight	204.229
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.7
Synonyms	BSPBio_000832 DSSTox_CID_25161 idasoxan Idazoxanum NCGC00015560-08 Prestwick2_000926 Tox21_110173_1 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole AC1L1H1U CCG-204739 DTXSID6045161 Idazoxan [INN:BAN] Lopac0_000652 NCGC00015560-12 SBI-0050632.P002 (+-)-2-(1,4-Benzodioxan-2-yl)-2-imidazoline 79944-58-4 API0007263 BRD-A18696154-003-03-6 CHEMBL10316 HPMRFMKYPGXPEP-UHFFFAOYSA-N Idazoxano NCGC00015560-05 Prestwick0_000926 Tox21 110173 2-(1,4-benzodioxan-2-yl)imidazoline AB00489883_10 C10968 DSSTox_GSID_45161 Idazoxanum [Latin] NCGC00015560-09 Prestwick3_000926 US8633208, Idazoxan 4,5-dihydro-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1H-imidazole AKOS015915004 BDBM50019848 CHEBI:5862 FT-0655996 Idazoxane LS-78447 NCGC00024794-03 SCHEMBL114731 A839791 BRD-A18696154-003-14-3 DB12551 I14-6697 Idazoxano [Spanish] NCGC00015560-06 Prestwick1_000926 Tox21_110173 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole AB00514632 CAS-79944-58-4 DSSTox_RID_80711 Idazoxan [BAN:INN] L000808 NCGC00015560-10 RX-781094 AN-36529 BPBio1_000916 HMS2089E14 Idazoxane [French] NCGC00015560-04 NCGC00024794-04 SPBio_003011 1H-Imidazole, 4,5-dihydro-2-(2,3-dihydro-1,4-benzodioxin-2-yl)- AB00489883-09 [ Show all ]
Inchi Key	HPMRFMKYPGXPEP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
PubChem CID	54459
ChEMBL	CHEMBL10316
IUPHAR	N/A
BindingDB	50019848
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	500.0 nM	PMID6139479	BindingDB,ChEMBL

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