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

NameCHEMBL540094
Molecular formulaC24H30Cl2N4O3
IUPAC nameethyl 1-(2-chloro-3-phenoxypropyl)-4-(cyclohexylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
Molecular weight493.429
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyACEGXCKZGDXWPV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29ClN4O3.ClH/c1-2-31-24(30)21-13-26-23-20(22(21)28-18-9-5-3-6-10-18)14-27-29(23)15-17(25)16-32-19-11-7-4-8-12-19;/h4,7-8,11-14,17-18H,2-3,5-6,9-10,15-16H2,1H3,(H,26,28);1H
PubChem CID45265610
ChEMBLCHEMBL540094
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1467Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
1466Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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