Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameMLS000032565
Molecular formulaC22H27N3O4
IUPAC nameethyl 3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzoate
Molecular weight397.475
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsAC1LCK2T
CHEMBL1545666
HMS2428H15
ZINC57579753
AKOS000728300
[ Show all ]
Inchi KeyAFDDQBZWJWXTDK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N3O4/c1-3-29-22(27)17-5-4-6-18(15-17)23-21(26)16-24-11-13-25(14-12-24)19-7-9-20(28-2)10-8-19/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,26)
PubChem CID651462
ChEMBLCHEMBL1545666
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4048Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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