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 DMFold 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

NameCHEMBL1672734
Molecular formulaC12H10F2N2O3
IUPAC name5-cyclobutyl-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
Molecular weight268.22
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.3
SynonymsBDBM50337001
5-cyclobutyl-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
Inchi KeyBZLHDLYMTJNPCY-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H10F2N2O3/c13-9(14)10-15-11(18)8-6(5-2-1-3-5)4-7(17)19-12(8)16-10/h4-5,9H,1-3H2,(H,15,16,18)
PubChem CID53317490
ChEMBLCHEMBL1672734
IUPHARN/A
BindingDB50337001
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
36557Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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