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

NameCHEMBL3675724
Molecular formulaC24H31N5
IUPAC name2-ethyl-5,7-dimethyl-3-[[4-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
Molecular weight389.547
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
SynonymsUS8748435, 14
BDBM123489
SCHEMBL12802232
Inchi KeyDWHANZZHQUPPRN-AATRIKPKSA-N
Inchi IDInChI=1S/C24H31N5/c1-4-23-22(24-26-18(2)16-19(3)29(24)27-23)17-21-9-7-20(8-10-21)6-5-13-28-14-11-25-12-15-28/h5-10,16,25H,4,11-15,17H2,1-3H3/b6-5+
PubChem CID68378930
ChEMBLCHEMBL3675724
IUPHARN/A
BindingDB123489
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70568G-protein coupled receptor 4P46093GPR4Homo sapiens (Human)362

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