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

NameCHEMBL1096546
Molecular formulaC22H26N6O2
IUPAC name7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
Molecular weight406.49
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50317462
7-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine
Inchi KeyVUTOTCDDXSINPN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N6O2/c23-20-19-15-6-9-27(11-14-4-5-17-18(10-14)30-13-29-17)12-16(15)22(24-21(19)26-25-20)28-7-2-1-3-8-28/h4-5,10H,1-3,6-9,11-13H2,(H3,23,24,25,26)
PubChem CID46887946
ChEMBLCHEMBL1096546
IUPHARN/A
BindingDB50317462
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
364827Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
364828Bombesin receptor subtype-3Q8K418Brs3Rattus norvegicus (Rat)399

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