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

NameCHEMBL3827187
Molecular formulaC28H42N6O3
IUPAC name1,3-dibutyl-9-[4-[2-(diethylamino)ethoxy]phenyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight510.683
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50187584
Inchi KeyJSUVPCPAVPGBBK-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3
PubChem CID127045168
ChEMBLCHEMBL3827187
IUPHARN/A
BindingDB50187584
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
526053Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
526058Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
526054Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
526059Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
526052Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
526055Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
526056Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
526057Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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