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 ●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 ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●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	N-(2,5-dimethoxyphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
Molecular formula	C19H19NO4
IUPAC name	N-(2,5-dimethoxyphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
Molecular weight	325.364
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.4
Synonyms	CBKinase1_023685 MolPort-000-371-202 ZINC1062643 HMS1631J02 SMR000081559 BRD-K23937197-001-01-2 MLS000066498 ST50124047 AC1LNU3U HMS2494H11 SR-01000295721 CBKinase1_011285 MLS002548235 STK882332 CHEMBL1426506 N-(2,5-dimethoxyphenyl)-2-(5-methylbenzo[b]furan-3-yl)acetamide AKOS001513675 MCULE-7530100179 SR-01000295721-1 [ Show all ]
Inchi Key	AEBRADGYKFROFI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19NO4/c1-12-4-6-17-15(8-12)13(11-24-17)9-19(21)20-16-10-14(22-2)5-7-18(16)23-3/h4-8,10-11H,9H2,1-3H3,(H,20,21)
PubChem CID	1252423
ChEMBL	CHEMBL1426506
IUPHAR	N/A
BindingDB	N/A
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
3311	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
3312	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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