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

NameCHEMBL610427
Molecular formulaC16H16FN5O4
IUPAC name(3R,4S,5R)-2-[6-(4-fluoroanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight361.333
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP1.3
SynonymsBDBM50367501
Inchi KeyLFUHYAZTIWDXOX-AARXTDBFSA-N
Inchi IDInChI=1S/C16H16FN5O4/c17-8-1-3-9(4-2-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
PubChem CID46876334
ChEMBLCHEMBL610427
IUPHARN/A
BindingDB50367501
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
186314Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324
186315Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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