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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL2036957
Molecular formulaC14H16N2O4
IUPAC name5-(4-cyclopropylbutyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
Molecular weight276.292
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.8
SynonymsBDBM50384643
SCHEMBL12603347
Inchi KeyBZUSEMKOQPHRPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16N2O4/c17-10-7-9(4-2-1-3-8-5-6-8)11-12(18)15-14(19)16-13(11)20-10/h7-8H,1-6H2,(H2,15,16,18,19)
PubChem CID15604638
ChEMBLCHEMBL2036957
IUPHARN/A
BindingDB50384643
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
36799Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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