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

NameSCHEMBL6117837
Molecular formulaC21H17NO4
IUPAC name3-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]benzoic acid
Molecular weight347.37
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsUS8680120, 9-32
CHEMBL3665552
BDBM119458
Inchi KeyJCCLVIMVFWCORQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17NO4/c1-25-18-5-6-19-17(10-18)11-20(16-7-8-26-13-16)22(19)12-14-3-2-4-15(9-14)21(23)24/h2-11,13H,12H2,1H3,(H,23,24)
PubChem CID50907865
ChEMBLCHEMBL3665552
IUPHARN/A
BindingDB119458
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
147277Prostaglandin E2 receptor EP1 subtypeP70597Ptger1Rattus norvegicus (Rat)405

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