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

NameCHEMBL1097551
Molecular formulaC19H24N6
IUPAC name7-benzyl-5-N-propan-2-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Molecular weight336.443
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.0
SynonymsBDBM50317471
7-benzyl-N5-isopropyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Inchi KeyHRFFYPNVGHVTPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24N6/c1-12(2)21-18-15-11-25(10-13-6-4-3-5-7-13)9-8-14(15)16-17(20)23-24-19(16)22-18/h3-7,12H,8-11H2,1-2H3,(H4,20,21,22,23,24)
PubChem CID46887875
ChEMBLCHEMBL1097551
IUPHARN/A
BindingDB50317471
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
122017Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
122018Bombesin receptor subtype-3Q8K418Brs3Rattus norvegicus (Rat)399

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