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	dl-Arterenol
Molecular formula	C8H11NO3
IUPAC name	4-(2-amino-1-hydroxyethyl)benzene-1,2-diol
Molecular weight	169.18
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	-1.2
Synonyms	1-(3,4-Dihydroxy)phenyl-2-aminoethanol 4-[(1rs)-2-amino-1-hydroxyethyl]-1,2-benzenediol BDBM35234 CHEMBL432 dl-Norepinephrine LS-42678 Norepinephrine, (+)-Isomer SCHEMBL2610 (.+-.)-Noradrenaline 1, 4-(2-amino-1-hydroxyethyl)-, (.+-.)- 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (+-)- (9CI) AC1L1AE8 BENZYL ALCOHOL, alpha-(AMINOMETHYL)-3,4-DIHYDROXY-, (+-)- d-Norepinephrine EINECS 205-337-9 NCGC00185992-01 NSC 294898 ST50410590 (.+/-.)-Noradrenaline 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (RS)- 4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol # AKOS022180874 CHEBI:33569 DL-Arterenol, dl-Norepinephrine, EINECS 205-337-9, (+/-)-Noradrenaline L000933 Noradrenaline,(+) PDSP1_001514 (+-)-Noradrenaline [3H]NE 138-65-8 Benzyl alcohol, .alpha.-(aminomethyl)-3,4-dihydroxy-, (.+/-.)- CTK5A3318 DL-[7-3H]norepinephrine MCULE-6262207923 Norepinephrine, (+,-)-Isomer SFLSHLFXELFNJZ-UHFFFAOYSA-N (.+-.)-Norepinephrine 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)- 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (.+/-.)- 4-(1-Hydroxy-2-aminoethyl)catechol AC1Q7AC5 Benzyl alcohol,4-dihydroxy-, (.+-.)- D06GJW EINECS 205-750-4 Noradrenalin, dl- NSC-294898 WLN: Z1YQR CQ DQ (.+/-.)-Norepinephrine 1,2-Benzenediol,4-(2-amino-1-hydroxyethyl)-, hydrochloride (1:1) 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol BCP04227 dl-Noradrenaline LS-42677 Noradrop PDSP2_001498 (+/-)Arterenol 1, 4-(2-amino-1-hydroxyethyl)- 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (+-)- 2-amino-1-(3,4-dihydroxyphenyl)ethanol AC-10030 BENZYL ALCOHOL, alpha-(AMINOMETHYL)-3,4-DIHYDROXY-, (+)- d-Arterenol EBD3051430 MFCD00025592 Norepinephrine, DL- SR-01000075279-3 (.+/-.)-Arterenol 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (dl)- 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol AKOS000123495 CCG-204148 GTPL484 Noradrenaline, racemic mixture NSC294898 ( inverted exclamation markA)-\|A-(Aminomethyl)-3,4-dihydroxybenzyl alcohol xi-Norepinephrine (1)-4-(2-Amino-1-hydroxyethyl)pyrocatechol [ Show all ]
Inchi Key	SFLSHLFXELFNJZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
PubChem CID	951
ChEMBL	CHEMBL432
IUPHAR	484
BindingDB	35234
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	9730.0 nM	PMID1706716	BindingDB

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