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

NameCHEMBL315101
Molecular formulaC13H17N5
IUPAC name2-oct-1-ynyl-7H-purin-6-amine
Molecular weight243.314
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.1
Synonyms2-(1-Octynyl)adenine
BDBM50008245
SCHEMBL15253136
2-Oct-1-ynyl-9H-purin-6-ylamine
ZINC12405287
Inchi KeyABCGZUNPGHUFFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H17N5/c1-2-3-4-5-6-7-8-10-17-12(14)11-13(18-10)16-9-15-11/h9H,2-6H2,1H3,(H3,14,15,16,17,18)
PubChem CID15119230
ChEMBLCHEMBL315101
IUPHARN/A
BindingDB50008245
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
735Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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