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

NameCHEMBL1171381
Molecular formulaC31H37N5O4
IUPAC name5-methyl-6-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
Molecular weight543.668
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
SynonymsN/A
Inchi KeyAGEXKFKWBVZZBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H37N5O4/c1-4-15-35-27-21-26(32(3)29(27)30(38)36(16-5-2)31(35)39)23-11-13-25(14-12-23)40-22-28(37)34-19-17-33(18-20-34)24-9-7-6-8-10-24/h6-14,21H,4-5,15-20,22H2,1-3H3
PubChem CID46837840
ChEMBLCHEMBL1171381
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4816Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
4817Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
4818Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441894Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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