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

NameCHEMBL2431126
Molecular formulaC24H28N4O2
IUPAC name2-cyclobutyl-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
Molecular weight404.514
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.6
SynonymsMLS-0463326.0001
SCHEMBL15819273
BDBM50440756
Inchi KeyRLNMVERRIAKFHG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28N4O2/c1-29-18-10-11-19-20(16-18)25-23(17-6-5-7-17)26-24(19)28-14-12-27(13-15-28)21-8-3-4-9-22(21)30-2/h3-4,8-11,16-17H,5-7,12-15H2,1-2H3
PubChem CID53245542
ChEMBLCHEMBL2431126
IUPHARN/A
BindingDB50440756
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
299168G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
299166Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
299167Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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