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

NameCHEMBL2036813
Molecular formulaC11H12N2O4
IUPAC name5-butyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
Molecular weight236.227
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP0.7
SynonymsSCHEMBL12602329
2H-Pyrano[2,3-d]pyrimidine-2,4,7(1H,3H)-trione, 5-butyl-
BDBM50384616
915209-44-8
Inchi KeyHJPYUWOIOYQZJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H12N2O4/c1-2-3-4-6-5-7(14)17-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
PubChem CID15605571
ChEMBLCHEMBL2036813
IUPHARN/A
BindingDB50384616
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
116664Hydroxycarboxylic acid receptor 2Q80Z39Hcar2Rattus norvegicus (Rat)360
116665Hydroxycarboxylic acid receptor 2Q9EP66Hcar2Mus musculus (Mouse)360
116667Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363
116666Hydroxycarboxylic acid receptor 3P49019HCAR3Homo sapiens (Human)387

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