Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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	Trace amine-associated receptor 1
Species	Homo sapiens (Human)
Gene	TAAR1
Synonym	trace amine receptor 1 TAR1 TaR-1 TA1 receptor TRAR1
Disease	N/A
Length	339
Amino acid sequence	MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS
UniProt	Q96RJ0
Protein Data Bank	N/A
GPCR-HGmod model	Q96RJ0
3D structure model	This predicted structure model is from GPCR-EXP Q96RJ0.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5857
IUPHAR	364
DrugBank	BE0001044

Ligand

Name	L-Amphetamine
Molecular formula	C9H13N
IUPAC name	(2R)-1-phenylpropan-2-amine
Molecular weight	135.21
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	1.8
Synonyms	Levamfetaminum PDSP1_001510 UNII-R87US8P740 (-)-Phenylisopropylamine (R)-alpha-Methylphenethylamine 190011-EP2280010A2 AJ-55558 DTXSID20166016 KWTSXDURSIMDCE-MRVPVSSYSA-N Levamfetamina Levamphetaminum R(-)-Amphetamine (levo-Amphetamine), 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material (-)-(R)-Amphetamine Hydrochloride (R)-a-Methyl-benzeneethanamine (R)-Amphetamine; Levamphetamine Benzeneethanamine, alpha-methyl-, (R)- l-a-Methylphenethylamine Levamfetamine hydrochloride Levoamphetamine SCHEMBL2636 (-)-Amphetamine Hydrochloride (R)-alpha-Methyl-benzeneethanamine (\|AR)-\|A-Methyl-benzeneethanamine Hydrochloride ACN-053516 CHEMBL19393 EINECS 205-850-8 l-Amphetamine Hydrochloride Levamfetaminum [INN-Latin] PDSP2_001494 ZINC6036847 (2R)-1-phenylpropan-2-amine (R)-Amphetamine AKOS022172419 l-(-)-Amphetamine Hydrochloride Levamfetamina [DCIT] Levanfetamina R(-)amphetamine (-)-alpha-Methylphenethylamine (R)-a-methylbenzeneethanamine (R)-Phenaminum AB07478 CHEBI:42724 l-alpha-Methylphenethylamine Levamfetamine [INN:BAN] LS-103616 UNII-CK833KGX7E component KWTSXDURSIMDCE-MRVPVSSYSA-N (-)-Phenaminum Hydrochloride (R)-alpha-Methylbenzeneethanamine 156-34-3 ACT09042 D07BAH GTPL2146 l-\|A-Methylphenethylamine Hydrochloride Levamphetamine Phenethylamine, alpha-methyl-, (-)- (R)-1-Phenylpropan-2-amine (R)-Amphetamine Hydrochloride 41820-21-7 BDBM50022721 l-(R)-Amphetamine Levamfetamine Levanfetamina [INN-Spanish] R87US8P740 (-)-Amphetamine (R)-a-methylphenethylamine (R)-phenylisopropylamine AC1L1OMX [ Show all ]
Inchi Key	KWTSXDURSIMDCE-MRVPVSSYSA-N
Inchi ID	InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
PubChem CID	32893
ChEMBL	CHEMBL19393
IUPHAR	2146
BindingDB	50022721
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	250.0 nM	PMID22037049	BindingDB,ChEMBL
EC50	251.189 nM	PMID18524885	IUPHAR
EC50	600.0 nM	PMID22037049	IUPHAR
EC50	920.0 nM	PMID18602830	BindingDB,ChEMBL
EC50	1300.0 nM	PMID22037049	BindingDB,ChEMBL
EC50	1700.0 nM	PMID22037049	BindingDB,ChEMBL
Emax	64.0 %	PMID18602830	ChEMBL

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