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	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	tyramine
Molecular formula	C8H11NO
IUPAC name	4-(2-aminoethyl)phenol
Molecular weight	137.182
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.1
Synonyms	Systogene to_000085 Tyramine, analytical standard X8ZC7V0OX3 p-Hydroxyphenylethylamine SCHEMBL4111 Spectrum5_000501 DSSTox_GSID_43874 2-(4-hydroxyphenyl)ethanamine HMS1923C19 KB-204477 4-Hydroxy phenylethylamine KBioSS_001693 51T672 M-3365 AEF NCGC00016011-03 ANW-31318 NCGC00016011-11 BIDD:ER0507 NCGC00063825-08 BRN 1099914 p-(2-Aminoethyl)phenol cid_5610 TC-060462 Tyramine;4-(2-Amino-ethyl)-phenol [3H]tyramine P-hydroxy-b-phenylethylamine Phenethylamine, p-hydroxy- SPBio_000696 SR-01000075365-5 DZGWFCGJZKJUFP-UHFFFAOYSA-N HSDB 2132 4-(2-aminoethyl)-Phenol KBio2_001693 4-hydroxy-Benzeneethanamine L-Tyramine AB00051887-15 MFCD00149002 AKOS000156022 NCGC00016011-06 BBL027695 NCGC00016011-16 bmse000870 NSC-249188 CAS-51-67-2 p-Hydroxy-.beta.-phenethylamine D01VFT .alpha.-(4-Hydroxyphenyl)-.beta.-aminoethane Tox21_110282 Tyramine, 98%, FG Uteramine p-hydroxy-phenylethylamine RTC-060462 Spectrum3_000693 STK531130 2-(4-hydroxy-phenyl)ethylamine GTPL2148 21758-EP2298312A1 IDI1_000918 4-13-00-01788 (Beilstein Handbook Reference) KBio3_001665 4-Hydroxyphenylethylamine LS-103895 AC1Q54AZ NCGC00016011-01 AM20060645 NCGC00016011-09 beta-(4-Hydroxyphenyl)ethylamine NCGC00063825-06 BR-47332 Oprea1_294339 DivK1c_000918 T-8910 TRA0098101 Tyramine, free base ZINC2233 p-Tyramine SGCUT00017 Spectrum_001213 DSSTox_RID_80079 2-(4-Hydroxyphenyl)ethylamine HMS2235J05 4- (2-aminoethyl)-Phenol KB-62189 4-Hydroxy-.beta.-phenylethylamine KS-00000NMU a-(4-Hydroxyphenyl)-b-aminoethane MCULE-3986856320 AJ-08146 NCGC00016011-04 AS-11671 NCGC00016011-12 Biomol-NT_000075 NINDS_000918 BSPBio_002445 p-.beta.-Aminoethylphenol CS-W007606 Tenosin-wirkstoff Tyramine base Tyrosamine p-Hydroxy-beta-phenethylamine Phenol, 4-(2-aminoethyl)- SPECTRUM210400 ST24033343 EINECS 200-115-8 HY-W007606 4-(2-Aminoethyl)-phenol(thyramin) KBio2_004261 4-Hydroxy-beta-phenylethylamine Lopac-T-2879 AB0010532 MLS000079096 alpha-(4-Hydroxyphenyl)-beta-aminoethane NCGC00016011-07 BDBM29135 NCGC00063825-04 bmse000891 NSC249188 CCG-39684 p-Hydroxy-.beta.-phenylethylamine D0C5RZ .beta.-(4-Hydroxyphenyl)ethylamine SY002127 Tox21_110282_1 Tyramine, 99% WLN: Z2R DQ p-Hydroxyphenethylamine SC-15191 Spectrum4_001801 2-(4-Hydroxyphenyl)-ethylamine GTPL2150 21758-EP2314571A2 InChI=1/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H 4-aminoethylphenol KBioGR_002405 51-67-2 LS-103913 ACMC-1AQH1 NCGC00016011-02 AN-41614 NCGC00016011-10 beta-Hydroxyphenylethylamine NCGC00063825-07 BRD-K53893978-001-03-1 p-(2-aminoethyl)-Phenol CHEMBL11608 DSSTox_CID_23874 T-8911 Tyramin Tyramine, Vetec(TM) reagent grade, 99% [3H]-Tyramine P-hydroxy-b-phenethylamine para-Tyramine SMR000059295 SR-01000075365 DTXSID2043874 2-(p-Hydroxyphenyl)ethylamine HMS502N20 4-(2-amino-ethyl)-phenol KBio1_000918 4-Hydroxy-b-phenylethylamine KSC269I3J A0302 MFCD00008193 AK-47332 NCGC00016011-05 b-(4-Hydroxyphenyl)ethylamine NCGC00016011-14 bmse000243 NSC 249188 C00483 p-beta-Aminoethylphenol CTK1G9434 (4-hydroxyphenyl)ethylamine Tocosine Tyramine, 97% UNII-X8ZC7V0OX3 p-Hydroxy-beta-phenylethylamine Phenol, p-(2-aminoethyl)- Spectrum2_000738 ST51037693 2-(4'-Hydroxyphenyl)ethylamine FT-0651978 21758-EP2281563A1 I01-2032 4-(2-Aminoethyl)phenol KBio2_006829 4-Hydroxyphenethylamine Lopac0_001136 AC1L1KQE MolPort-000-698-914 alpha.-(4-Hydroxyphenyl)-beta-aminoethane NCGC00016011-08 Benzeneethanamine, 4-hydroxy- NCGC00063825-05 BPBio1_001394 Opera_ID_887 CHEBI:15760 DB08841 [ Show all ]
Inchi Key	DZGWFCGJZKJUFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
PubChem CID	5610
ChEMBL	CHEMBL11608
IUPHAR	2148, 2150
BindingDB	29135
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	5900.0 nM	PMID17827	BindingDB
Ki	23000.0 nM	PMID17827	BindingDB

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