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

NameCHEMBL52036
Molecular formulaC24H25N9
IUPAC nameN-butyl-8-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-purin-6-amine
Molecular weight439.527
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.5
SynonymsL009471
SCHEMBL9544491
BDBM50403220
Inchi KeyAADRGVCQNSFPFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N9/c1-3-4-13-33(24-21-23(25-15-26-24)28-16(2)27-21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-29-31-32-30-22/h5-12,15H,3-4,13-14H2,1-2H3,(H,25,26,27,28)(H,29,30,31,32)
PubChem CID44211263
ChEMBLCHEMBL52036
IUPHARN/A
BindingDB50403220
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
116Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359

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