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

You can:

Ligand

NameMLS003120629
Molecular formulaC23H20N2O4
IUPAC nameN-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide
Molecular weight388.423
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsN-[(3,4-dimethoxyphenyl)methyl]-3-(3-pyridinyl)-7-benzofurancarboxamide
BDBM97184
cid_49778835
3-(3-pyridyl)-N-veratryl-benzofuran-7-carboxamide
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide
[ Show all ]
Inchi KeyJFJPHFGNNOUNGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20N2O4/c1-27-20-9-8-15(11-21(20)28-2)12-25-23(26)18-7-3-6-17-19(14-29-22(17)18)16-5-4-10-24-13-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)
PubChem CID49778835
ChEMBLCHEMBL1878609
IUPHARN/A
BindingDB97184
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
149652Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
481389Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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