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

NameCHEMBL1514741
Molecular formulaC27H22N4O
IUPAC name3,6-diphenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
Molecular weight418.5
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.4
SynonymsAKOS001757495
NCGC00105220-01
3,4-diphenyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxamide
MCULE-7845634888
AKOS005634899
[ Show all ]
Inchi KeyAHQPUXUCWRPAOH-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H22N4O/c32-27(28-17-16-19-10-4-1-5-11-19)22-18-23(20-12-6-2-7-13-20)29-26-24(22)25(30-31-26)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,28,32)(H,29,30,31)
PubChem CID15988389
ChEMBLCHEMBL1514741
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5807Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
5806Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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