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 DMFold 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

NameCHEMBL609769
Molecular formulaC19H30N6O4
IUPAC name(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-nonyloxolane-2-carboxamide
Molecular weight406.487
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.9
SynonymsBDBM50369950
Inchi KeyVAZUKUKQSVLTGE-FRLFKWGPSA-N
Inchi IDInChI=1S/C19H30N6O4/c1-2-3-4-5-6-7-8-9-21-18(28)15-13(26)14(27)19(29-15)25-11-24-12-16(20)22-10-23-17(12)25/h10-11,13-15,19,26-27H,2-9H2,1H3,(H,21,28)(H2,20,22,23)/t13-,14+,15-,19?/m0/s1
PubChem CID46875268
ChEMBLCHEMBL609769
IUPHARN/A
BindingDB50369950
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
3505892-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337

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