Zhang Lab

University of Michigan

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL20402
Molecular formula	C20H26N4O2
IUPAC name	1-(3-methylbutyl)-3-(2-methylpropyl)-8-phenyl-7H-purine-2,6-dione
Molecular weight	354.454
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.2
Synonyms	BDBM50018172 SCHEMBL9765946 3-Isobutyl-1-(3-methyl-butyl)-8-phenyl-3,7-dihydro-purine-2,6-dione
Inchi Key	XNCIQXPNALANLZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26N4O2/c1-13(2)10-11-23-19(25)16-18(24(20(23)26)12-14(3)4)22-17(21-16)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,21,22)
PubChem CID	19818540
ChEMBL	CHEMBL20402
IUPHAR	N/A
BindingDB	50018172
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
396164	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
396163	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
396162	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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