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

NameCHEMBL490250
Molecular formulaC17H22ClN5O4
IUPAC name(2R,3R,4S,5R)-2-[6-(2-bicyclo[2.2.1]heptanylamino)-2-chloropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight395.844
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50267578
2-Chloro-N6-(+/-)-endo-norbornyl-9H-(beta-D-ribofuranosyl)adenine
Inchi KeyAEOCPQUDPJKEQV-NNBIHLJJSA-N
Inchi IDInChI=1S/C17H22ClN5O4/c18-17-21-14(20-9-4-7-1-2-8(9)3-7)11-15(22-17)23(6-19-11)16-13(26)12(25)10(5-24)27-16/h6-10,12-13,16,24-26H,1-5H2,(H,20,21,22)/t7?,8?,9?,10-,12-,13-,16-/m1/s1
PubChem CID44582726
ChEMBLCHEMBL490250
IUPHARN/A
BindingDB50267578
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3674Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
3673Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
3676Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
3675Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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