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

NameCID 46876614
Molecular formulaC12H17N7O4
IUPAC name(3R,4S,5R)-2-[6-amino-2-[(2E)-2-ethylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight323.313
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP-0.8
SynonymsN/A
Inchi KeyAHVJQTSTUCTHEA-AHZYFWOJSA-N
Inchi IDInChI=1S/C12H17N7O4/c1-2-15-18-12-16-9(13)6-10(17-12)19(4-14-6)11-8(22)7(21)5(3-20)23-11/h2,4-5,7-8,11,20-22H,3H2,1H3,(H3,13,16,17,18)/b15-2+/t5-,7-,8-,11?/m1/s1
PubChem CID46876614
ChEMBLCHEMBL607873
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5909Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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