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

NameSCHEMBL16023414
Molecular formulaC17H18F2N6O
IUPAC name3-[[6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
Molecular weight360.369
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.2
Synonyms6-Cyclopropyl-4-(3,3-difluoro-pyrrolidin-1-yl)-1-(4-methyl-furazan-3-ylmethyl)-1H-pyrazolo[3,4-b]pyridine
US9512132, 28
AEHRKAGHJINENK-UHFFFAOYSA-N
Inchi KeyAEHRKAGHJINENK-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18F2N6O/c1-10-14(23-26-22-10)8-25-16-12(7-20-25)15(6-13(21-16)11-2-3-11)24-5-4-17(18,19)9-24/h6-7,11H,2-5,8-9H2,1H3
PubChem CID85468916
ChEMBLN/A
IUPHARN/A
BindingDB259992
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536000Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
536001Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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