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

NameCHEMBL51353
Molecular formulaC20H20ClN5O
IUPAC name1-[2-[6-amino-8-(4-chlorophenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight381.864
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
Synonyms1-[6-Amino-8-(4-chloro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol
BDBM50095779
1-[[8-(4-Chlorophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
Inchi KeyLFMWMGADNPPIMY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20ClN5O/c1-26-18(13-5-7-14(21)8-6-13)25-16-17(22)23-15(24-19(16)26)9-12-20(27)10-3-2-4-11-20/h5-8,27H,2-4,10-11H2,1H3,(H2,22,23,24)
PubChem CID10714900
ChEMBLCHEMBL51353
IUPHARN/A
BindingDB50095779
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
186134Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
186135Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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