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

NameMLS003120640
Molecular formulaC23H19N3O5S
IUPAC name3-(3-carbamoylphenyl)-N-[3-(methanesulfonamido)phenyl]-1-benzofuran-7-carboxamide
Molecular weight449.481
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.6
SynonymsSMR001290036
CHEMBL1863528
Inchi KeyAGHSZCLKXBSJEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19N3O5S/c1-32(29,30)26-17-8-3-7-16(12-17)25-23(28)19-10-4-9-18-20(13-31-21(18)19)14-5-2-6-15(11-14)22(24)27/h2-13,26H,1H3,(H2,24,27)(H,25,28)
PubChem CID49791160
ChEMBLCHEMBL1863528
IUPHARN/A
BindingDBN/A
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
4884Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
4885Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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