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 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

NameCHEMBL3793911
Molecular formulaC23H28N2O4
IUPAC name2-[1-[2-(N-benzoyl-4-methylanilino)ethyl]piperidin-4-yl]oxyacetic acid
Molecular weight396.487
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.1
SynonymsBDBM50163296
Inchi KeyBOQIBRQHNFTPDW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N2O4/c1-18-7-9-20(10-8-18)25(23(28)19-5-3-2-4-6-19)16-15-24-13-11-21(12-14-24)29-17-22(26)27/h2-10,21H,11-17H2,1H3,(H,26,27)
PubChem CID127029417
ChEMBLCHEMBL3793911
IUPHARN/A
BindingDB50163296
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522423Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
522427Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
522424Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
522425Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
522421Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
522426Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
522422Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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