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

NameCHEMBL2113469
Molecular formulaC19H29N5O3S
IUPAC name(2R,3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
Molecular weight407.533
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.0
SynonymsBDBM50454901
Inchi KeyAPJGWOVLAUZJKU-NVQRDWNXSA-N
Inchi IDInChI=1S/C19H29N5O3S/c1-11(2)7-28-8-13-15(25)16(26)19(27-13)24-10-22-14-17(20-9-21-18(14)24)23-12-5-3-4-6-12/h9-13,15-16,19,25-26H,3-8H2,1-2H3,(H,20,21,23)/t13-,15-,16-,19-/m1/s1
PubChem CID71458067
ChEMBLCHEMBL2113469
IUPHARN/A
BindingDB50454901
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
11034Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
11035Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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