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	VU0152119
Molecular formula	C23H28N4O4S
IUPAC name	3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
Molecular weight	456.561
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.5
Synonyms	3-azanyl-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide cid_45142471 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-[2-(4-morpholinyl)ethoxy]-2-thieno[2,3-b]pyridinecarboxamide BDBM48059 3-amino-4-methyl-6-(2-morpholinoethoxy)-N-p-anisyl-thieno[2,3-b]pyridine-2-carboxamide [ Show all ]
Inchi Key	GRBWIUCZMJGFMR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28N4O4S/c1-15-13-18(31-12-9-27-7-10-30-11-8-27)26-23-19(15)20(24)21(32-23)22(28)25-14-16-3-5-17(29-2)6-4-16/h3-6,13H,7-12,14,24H2,1-2H3,(H,25,28)
PubChem CID	45142471
ChEMBL	N/A
IUPHAR	N/A
BindingDB	48059
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
460146	Muscarinic acetylcholine receptor M4	P08485	Chrm4	Rattus norvegicus (Rat)	478

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