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

NameAdenosine-5'-(N-propyl)carboxamide
Molecular formulaC13H18N6O4
IUPAC name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propyloxolane-2-carboxamide
Molecular weight322.325
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-0.2
Synonyms(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propyloxolane-2-carboxamide
BRN 0582860
CHEMBL1235128
PA7
1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-propylribofuranuronamide
[ Show all ]
Inchi KeyUQGKLARJCHZHSS-QRIDJOKKSA-N
Inchi IDInChI=1S/C13H18N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h4-5,7-9,13,20-21H,2-3H2,1H3,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1
PubChem CID3044933
ChEMBLCHEMBL1235128
IUPHARN/A
BindingDB50389796
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3428642-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337
342863Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
342867Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
342865Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
342866Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
455333Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
455332Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417