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

NameMLS000053810
Molecular formulaC21H22N2O5
IUPAC name4-(1,3-dioxoisoindol-2-yl)butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Molecular weight382.416
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.7
SynonymsSMR000068143
4-(1,3-dioxoisoindol-2-yl)butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
AC1M8EDP
MLS002635158
CHEMBL1573112
[ Show all ]
Inchi KeyACXDWKIWTSDHPD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O5/c1-12-17(14(3)24)13(2)22-18(12)21(27)28-11-7-6-10-23-19(25)15-8-4-5-9-16(15)20(23)26/h4-5,8-9,22H,6-7,10-11H2,1-3H3
PubChem CID2535819
ChEMBLCHEMBL1573112
IUPHARN/A
BindingDB37026
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2017Galanin receptor type 2O43603GALR2Homo sapiens (Human)387
2019Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
2016Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
2015Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
2018Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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