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

NameRolofylline
Molecular formulaC20H28N4O2
IUPAC name1,3-dipropyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
Molecular weight356.47
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.9
SynonymsL001406
SCHEMBL18029490
1,3-Dnax
8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione
AC1Q6LCF
[ Show all ]
Inchi KeyPJBFVWGQFLYWCB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
PubChem CID64627
ChEMBLCHEMBL52333
IUPHAR5604
BindingDB50003019
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
260976Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
260977Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
260979Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
260981Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
260983Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
260980Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
260982Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
260985Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
554573Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
554574Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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