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

Namepentoxifylline
Molecular formulaC13H18N4O3
IUPAC name3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
Molecular weight278.312
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP0.3
SynonymsNCGC00067069-03
1-(5-Oxohexyl)-3,7-dimethylxanthine
Durapental
3,7-Dimethyl-1-(5-oxohexyl) xantine
Flexital (TN)
[ Show all ]
Inchi KeyBYPFEZZEUUWMEJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
PubChem CID4740
ChEMBLCHEMBL628
IUPHAR7095
BindingDB10850
DrugBankDB00806

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35963Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
35966Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
35969Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
35970Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
35962Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
35972Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
35968D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
35967Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
35965Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
35964Thyrotropin receptorP16473TSHRHomo sapiens (Human)764
35973Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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