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

NameCHEMBL319356
Molecular formulaC9H12N4
IUPAC name2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Molecular weight176.223
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP1.5
Synonyms2,5,6-Trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 2,5,6-trimethyl-
MolPort-013-273-589
AKOS022473680
111601-38-8
[ Show all ]
Inchi KeyABYSHPMNLZCWGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H12N4/c1-4-5(2)11-9-7(4)8(10)12-6(3)13-9/h1-3H3,(H3,10,11,12,13)
PubChem CID13803176
ChEMBLCHEMBL319356
IUPHARN/A
BindingDB50014283
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
1318Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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