Zhang Lab

University of Michigan

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 ●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

●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	Trace amine-associated receptor 1
Species	Macaca mulatta (Rhesus macaque)
Gene	TAAR1
Synonym	TaR-1 Trace amine receptor 1
Disease	N/A for non-human GPCRs
Length	338
Amino acid sequence	MPFCHNIINISCVKNNWSNDVRASLYSLMALIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKINILVVCVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLAFMTSFYIPGSIMLCIYYRIYLIAKEQARSINDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFVCTVIDPFLHYTIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMILFGKIFQKDSSRCKLFLESSS
UniProt	Q8HZ64
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	CHEMBL1926495
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	81262-70-6
Molecular formula	C11H15NO2
IUPAC name	(2R)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
Molecular weight	193.246
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.2
Synonyms	NSC_126235 BDBM86234 SCHEMBL896602 (R)-3,4-Methylenedioxymethamphetamine CHEMBL382757 PDSP1_001408 (-)-3,4-Methylenedioxymethamphetamine CAS_64057-70-1 ZINC403053 1,3-Benzodioxole-5-ethanamine, N,alpha-dimethyl-, (alphaR)- MDMA,S(+) AC1LDI4R PDSP2_001392 (2R)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine [ Show all ]
Inchi Key	SHXWCVYOXRDMCX-MRVPVSSYSA-N
Inchi ID	InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m1/s1
PubChem CID	667458
ChEMBL	CHEMBL382757
IUPHAR	N/A
BindingDB	86234
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	7400.0 nM	PMID22037049	BindingDB,ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218