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

NameMLS003120552
Molecular formulaC22H13F4NO2
IUPAC name4-(3,4-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]-1-benzofuran-7-carboxamide
Molecular weight399.345
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
Synonyms4-(3,4-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]-1-benzofuran-7-carboxamide
MLS004802422
BDBM93939
cid_49778249
4-(3,4-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-benzofurancarboxamide
[ Show all ]
Inchi KeyACPYWUVVAGNCOF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H13F4NO2/c23-17-5-1-12(9-19(17)25)11-27-22(28)16-4-3-14(15-7-8-29-21(15)16)13-2-6-18(24)20(26)10-13/h1-10H,11H2,(H,27,28)
PubChem CID49778249
ChEMBLCHEMBL2131227
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1775Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463160Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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