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

NameCHEMBL158859
Molecular formulaC16H17ClN6
IUPAC name3-[(2-chlorophenyl)methyl]-N-cyclopentyltriazolo[4,5-d]pyrimidin-7-amine
Molecular weight328.804
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50063215
[3-(2-Chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-cyclopentyl-amine
Inchi KeyCNQPYIAZJVGLBN-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H17ClN6/c17-13-8-4-1-5-11(13)9-23-16-14(21-22-23)15(18-10-19-16)20-12-6-2-3-7-12/h1,4-5,8,10,12H,2-3,6-7,9H2,(H,18,19,20)
PubChem CID10381887
ChEMBLCHEMBL158859
IUPHARN/A
BindingDB50063215
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
46258Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326

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