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

NameCHEMBL1672640
Molecular formulaC16H18F2N2O3
IUPAC name2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
Molecular weight324.328
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
Synonyms2-(difluoromethyl)-5-(3-(1-ethylcyclopropyl)propyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
BDBM50337036
SCHEMBL12560508
Inchi KeyAXWBLHOWESRPRK-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18F2N2O3/c1-2-16(6-7-16)5-3-4-9-8-10(21)23-15-11(9)14(22)19-13(20-15)12(17)18/h8,12H,2-7H2,1H3,(H,19,20,22)
PubChem CID53318746
ChEMBLCHEMBL1672640
IUPHARN/A
BindingDB50337036
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
17164Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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