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

NameCHEMBL2431131
Molecular formulaC23H25ClN4O2
IUPAC name4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropyl-6,7-dimethoxyquinazoline
Molecular weight424.929
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50440762
MLS-0471515.0001
SCHEMBL15818963
Inchi KeyKMQHCXSTAQSUDR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25ClN4O2/c1-29-20-13-16-18(14-21(20)30-2)25-22(15-7-8-15)26-23(16)28-11-9-27(10-12-28)19-6-4-3-5-17(19)24/h3-6,13-15H,7-12H2,1-2H3
PubChem CID56593272
ChEMBLCHEMBL2431131
IUPHARN/A
BindingDB50440762
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
172913G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
172912Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
172914Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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