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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	3-iodothyronamine
Molecular formula	C14H14INO2
IUPAC name	4-[4-(2-aminoethyl)-2-iodophenoxy]phenol
Molecular weight	355.175
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.1
Synonyms	712349-95-6 SCHEMBL359453 CHEBI:89700 4-[4-(2-Aminoethyl)-2-iodphenoxy]phenol DTXSID80433256 AKOS028113698 T1AM 4-(4-(2-amoethinyl)-2-iodophenoxy)phenol Phenol, 4-[4-(2-aminoethyl)-2-iodophenoxy]- BDBM50359505 ZINC13681007 4-[4-(2-aminoethyl)-2-iodophenoxy]phenol CHEMBL1182312 [ Show all ]
Inchi Key	XIINYOJWNGOUPF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
PubChem CID	9950514
ChEMBL	CHEMBL1182312
IUPHAR	N/A
BindingDB	50359505
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
392604	Trace amine-associated receptor 1	Q923Y9	Taar1	Rattus norvegicus (Rat)	332
392605	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339
511379	Trace amine-associated receptor 1	Q923Y8	Taar1	Mus musculus (Mouse)	332
532570	Trace amine-associated receptor 5	O14804	TAAR5	Homo sapiens (Human)	337
532571	Trace amine-associated receptor 5	Q5QD14	Taar5	Mus musculus (Mouse)	337

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