Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NamePyrimidin-4-ylacetamide, 9
Molecular formulaC20H24N6O3
IUPAC nameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide
Molecular weight396.451
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.7
SynonymsCHEMBL261176
SCHEMBL1489666
BDBM21198
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
Inchi KeyABOTXPKVARXPFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N6O3/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-6-8-28-9-7-25)22-20(23-18)16-5-4-15(3)29-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,22,23,27)
PubChem CID24768420
ChEMBLCHEMBL261176
IUPHARN/A
BindingDB21198
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1044Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
1042Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
1043Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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