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

NameSCHEMBL6118186
Molecular formulaC23H18FNO3
IUPAC name3-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoic acid
Molecular weight375.399
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM119468
US8680120, 25-18
CHEMBL3665562
Inchi KeyDONQECWETAUZLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18FNO3/c1-28-20-8-9-21-18(12-20)13-22(16-5-3-7-19(24)11-16)25(21)14-15-4-2-6-17(10-15)23(26)27/h2-13H,14H2,1H3,(H,26,27)
PubChem CID69671009
ChEMBLCHEMBL3665562
IUPHARN/A
BindingDB119468
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
65138Prostaglandin E2 receptor EP1 subtypeP70597Ptger1Rattus norvegicus (Rat)405

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