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

NameCHEMBL106740
Molecular formulaC16H10ClN3O
IUPAC name2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one
Molecular weight295.726
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.4
Synonyms2-(4-Chloro-phenyl)-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one
BDBM50091137
2-(4-Chlorophenyl)-2H-pyrazolo[3,4-c]quinoline-4(5H)-one
Inchi KeyAXFIIVHPUHXMCS-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-9-13-12-3-1-2-4-14(12)18-16(21)15(13)19-20/h1-9H,(H,18,21)
PubChem CID10517992
ChEMBLCHEMBL106740
IUPHARN/A
BindingDB50091137
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16655Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
16654Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
16656Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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