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 ●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

NameCHEMBL2431236
Molecular formulaC28H30N4O3
IUPAC name6-ethoxy-7-methoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline
Molecular weight470.573
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.5
SynonymsBDBM50440766
Inchi KeyAESGFGNUDJVJQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30N4O3/c1-4-35-26-18-23-24(19-25(26)34-3)29-27(20-9-6-5-7-10-20)30-28(23)32-15-13-31(14-16-32)21-11-8-12-22(17-21)33-2/h5-12,17-19H,4,13-16H2,1-3H3
PubChem CID73349346
ChEMBLCHEMBL2431236
IUPHARN/A
BindingDB50440766
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3811G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
3812Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
3810Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417