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

NameCHEMBL366216
Molecular formulaC19H25N7
IUPAC name6-N-cyclohexyl-2-N-[4-(dimethylamino)phenyl]-7H-purine-2,6-diamine
Molecular weight351.458
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.2
SynonymsBDBM50170823
N*6*-Cyclohexyl-N*2*-(4-dimethylamino-phenyl)-9H-purine-2,6-diamine
Inchi KeyADHPIOBOQMGIPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25N7/c1-26(2)15-10-8-14(9-11-15)23-19-24-17-16(20-12-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25)
PubChem CID11302588
ChEMBLCHEMBL366216
IUPHARN/A
BindingDB50170823
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
2318Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
2317Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
2319Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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