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

Nametheophylline
Molecular formulaC7H8N4O2
IUPAC name1,3-dimethyl-7H-purine-2,6-dione
Molecular weight180.167
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP0.0
SynonymsTefamin
Theophylline, 99+%, anhydrous
Teofyllamin
Theophylline-SR
Theo 24
[ Show all ]
Inchi KeyZFXYFBGIUFBOJW-UHFFFAOYSA-N
Inchi IDInChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
PubChem CID2153
ChEMBLCHEMBL190
IUPHAR413
BindingDB10847, 82053
DrugBankDB00277

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 15
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
427507Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
427509Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
427511Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
427519Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
427521Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
427510Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
427513Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
427514Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
427512Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
427515Adenosine receptor A2bQ60614Adora2bMus musculus (Mouse)332
427520Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
427516Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
427517Adenosine receptor A3P35342ADORA3Ovis aries (Sheep)317
427518Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
427508P2Y purinoceptor 2P58825P2RY2Cricetulus griseus (Chinese hamster)166

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