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GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

Ligand

Name	norepinephrine
Molecular formula	C8H11NO3
IUPAC name	4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
Molecular weight	169.18
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	-1.2
Synonyms	Spectrum5_001068 UNII-X4W3ENH1CV Levoarterenol MLS006010883 NCGC00159406-10 Noradrenalin Norartrinal Norepinephrine Noradrenalin PDSP1_001111 SFLSHLFXELFNJZ-QMMMGPOBSA-N 21779-EP2272847A1 DB00368 21779-EP2311828A1 EINECS 200-096-6 4786-EP2270011A1 HMS2091J08 4786-EP2305644A1 KBio2_004057 4786-EP2314571A2 L-alpha-(aminomethyl)-3,4-dihydroxybenzyl alcohol AB00052424-06 AKOS015854572 (-)-Arterenol free base Benzyl alcohol, .alpha.-(aminomethyl)-3,4-dihydroxy-, (+)- (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol CAS-51-41-2 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)- D-(-)-Noradrenaline Sympathin E xi-Norepinephrine Levonorepinephrine NCGC00159406-05 NINDS_000230 Noradrenalina [Italian] norepinefrina norepinephrinum PubChem6074 SPBio_001048 D00076 21779-EP2287166A2 DSSTox_CID_3378 21779-EP2377510A1 FT-0658803 4786-EP2287163A1 HY-13715 4786-EP2305678A1 KBioGR_000635 L-Norepinephrine AC1L96ZT (+)-Noradrenaline AN-24392 (-)-NORADRENALINE/ 1,?2-?Benzenediol, 4-?[(1R)?-?2-?amino-?1-?hydroxyethyl]?- BRN 4231961 (R)-Noradrenaline CHEBI:18357 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-(9CI) Spectrum3_000520 TR-005105 LT03330026 NCGC00159406-08 Nor-adrenaline Noradrenaline (JP17) Norepinephrine (INN) NSC-757246 SC-04955 138-65-8 D53D5E3A-2360-4CA9-8031-6C2CD4062FD5 21779-EP2298742A1 DTXSID5023378 4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol HMS1920B08 4786-EP2292620A2 KBio1_000230 4786-EP2308875A1 l-2-Amino-1-(3,4-dihydroxyphenyl)ethanol 51-41-2 AJ-09755 (-)-alpha-(Aminomethyl)protocatechuyl alcohol Arterenol (R)-( C)-Norepinephrine C-4015 1,2-Benzenediol, 4-((1R)-2-amino-1-hydroxyethyl)- CS-0007744 Spectrum_001009 W-105896 Levonor NCGC00159406-03 NCGC00159406-11 Noradrenalin, l- Noreinefrina Norepinephrine [INN:BAN:JAN] PDSP2_001095 SGCUT00123 21779-EP2284170A1 DermX 21779-EP2311835A1 FCH920095 4786-EP2280010A2 HMS500L12 4786-EP2305648A1 KBio2_006625 4786-EP2316836A1 L-arterenol AB00052424_07 Aktamin (-)-NORADRENALINE Benzyl alcohol, alpha-(aminomethyl)-3,4-dihydroxy-, (-)- (R)-4-(2-Amino-1-hydroxyethyl)benzene-1,2-diol CC-33071 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)- (9CI) d-Arterenol Tox21_301944 ZINC57624 Levophed NCGC00159406-06 Nor adrenalin noradrenaline NOREPINEPHIRINE Norepinephrinum [INN-Latin] R-norepinephrine SPECTRUM1500436 D07MOX 21779-EP2292620A2 DSSTox_GSID_23378 4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol FT-0679201 4786-EP2287165A2 I01-15661 4786-EP2308864A1 KBioSS_001489 Levarterenol Adrenaline Impurity (+)-Norepinephrine ANW-74377 (-)-Norepinephrine BSPBio_002079 (R)-Norepinephrine 1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]- Spectrum4_000078 UNII-K294OAI79V component SFLSHLFXELFNJZ-QMMMGPOBSA-N Levarterenolo [DCIT] MFCD00025592 NCGC00159406-09 Nor-Epirenan Noradrenalinum Norepinephrine l-Tartrate (1:1) NSC757246 SCHEMBL2609 21779-EP2269990A1 21779-EP2305669A1 Ecteinascidins 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol HMS2089E18 4786-EP2298776A1 KBio2_001489 4786-EP2311831A1 L-3,4-dihydroxyphenylethanolamine 66197-73-7 AKOS006345192 (-)-Arterenol BDBM50029051 (R)-(-)-Norepinephrine C00547 1,2-Benzenediol, 4-((R)-2-amino-1-hydroxyethyl)- CTK4C1344 STK503776 X4W3ENH1CV Levonoradrenaline NCGC00159406-04 NCGC00255328-01 Noradrenalina Noreinefrina [INN-Spanish] Norepinephrine [INN:JAN] Pharmakon1600-01500436 SMR000058585 d-Norepinephrine 21779-EP2287165A2 DivK1c_000230 21779-EP2314571A2 FT-0603221 4786-EP2284171A1 HSDB 7772 4786-EP2305677A1 KBio3_001579 4899-05-2 L-Noradrenaline AB00052424_08 ALBB-006229 (-)-NORADRENALINE/ 1,?2-?Benzenediol, 4-?[(1R)?-?2 bmse000404 (R)-4-(2-Amino-1-hydroxyethyl)catechol CCG-40104 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-(-)- Spectrum2_001064 to_000024 LS-42676 NCGC00159406-07 Nor adrenalin (TN) Noradrenaline (JP15) Norepirenamine SBI-0050082.P003 D0R2UN 21779-EP2298731A1 DSSTox_RID_77004 4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol GTPL505 4786-EP2287166A2 IDI1_000230 4786-EP2308873A1 l-1-(3,4-Dihydroxyphenyl)-2-aminoethanol 51-40-1 (l-tartrate (1:1)) Levarterenolo Adrenor (-)-(R)-Norepinephrine API0003193 (-)-Norepinephrine, >=98%, crystalline C-05156 025N592 CHEMBL1437 1,2-Benzenediol,4-(2-amino-1-hydroxyethyl)- [ Show all ]
Inchi Key	SFLSHLFXELFNJZ-QMMMGPOBSA-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/t8-/m0/s1
PubChem CID	439260
ChEMBL	CHEMBL1437
IUPHAR	505
BindingDB	50029051
DrugBank	DB00368
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
Control response	6.3 %	PMID2982020	ChEMBL
Control response	6.7 %	PMID2982020	ChEMBL
Control response	9.0 %	PMID2982020	ChEMBL
Control response	9.3 %	PMID2982020	ChEMBL
Control response	14.5 %	PMID2982020	ChEMBL
Control response	45.3 %	PMID2982020	ChEMBL
EC50	9.1 nM	PMID26125514	BindingDB,ChEMBL
EC50	2187.76 nM	PMID8831777	ChEMBL
Emax	117.0 %	PMID8831777	ChEMBL
Ki	398.107 - 1584.89 nM	PMID7651358, PMID10433504, PMID8564227	IUPHAR
Ki	1500.0 nM	PMID2845082	BindingDB,ChEMBL

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