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

NameCHEMBL3670938
Molecular formulaC25H33N5
IUPAC name2-ethyl-5,7-dimethyl-3-[[4-[(E)-3-[(3S)-3-methylpiperazin-1-yl]prop-1-enyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
Molecular weight403.574
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM123484
SCHEMBL12802550
US8748435, 9
Inchi KeyAWNNMHAOHAAAAE-GHOSXJJBSA-N
Inchi IDInChI=1S/C25H33N5/c1-5-24-23(25-27-18(2)15-20(4)30(25)28-24)16-22-10-8-21(9-11-22)7-6-13-29-14-12-26-19(3)17-29/h6-11,15,19,26H,5,12-14,16-17H2,1-4H3/b7-6+/t19-/m0/s1
PubChem CID68379102
ChEMBLCHEMBL3670938
IUPHARN/A
BindingDB123484
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
16193G-protein coupled receptor 4P46093GPR4Homo sapiens (Human)362

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