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 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

Name1,3-Diethyl-8-phenylxanthine
Molecular formulaC15H16N4O2
IUPAC name1,3-diethyl-8-phenyl-7H-purine-2,6-dione
Molecular weight284.319
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
Synonyms1,3-Diethyl-3,9-dihydro-8-phenyl-1H-purine-2,6-dione
2KCV39GKGL
AKOS027378654
D07HKU
Lopac0_000125
[ Show all ]
Inchi KeyLVSWNSHUTPWCNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)
PubChem CID1328
ChEMBLCHEMBL11348
IUPHAR445
BindingDB81971
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
197599Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324
197600Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
197601Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
556264Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
197597Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
197598Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
197602Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417