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

NameCHEMBL3087709
Molecular formulaC23H17N5O2
IUPAC nameN-[8-(furan-2-yl)-9-methylpurin-6-yl]-4-phenylbenzamide
Molecular weight395.422
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsN/A
Inchi KeyAFPYJJLDUPLMID-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H17N5O2/c1-28-21(18-8-5-13-30-18)26-19-20(24-14-25-22(19)28)27-23(29)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-14H,1H3,(H,24,25,27,29)
PubChem CID76313599
ChEMBLCHEMBL3087709
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4383Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
4384Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
4385Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441883Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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