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

NameCHEMBL2431135
Molecular formulaC26H25FN4O2
IUPAC name4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-phenylquinazoline
Molecular weight444.51
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.3
Synonyms496774-79-9
MLS-0454783.0001
AKOS022115924
STL334993
MolPort-002-578-724
[ Show all ]
Inchi KeyDXODZTAGDLSJLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25FN4O2/c1-32-23-16-19-21(17-24(23)33-2)28-25(18-8-4-3-5-9-18)29-26(19)31-14-12-30(13-15-31)22-11-7-6-10-20(22)27/h3-11,16-17H,12-15H2,1-2H3
PubChem CID1920221
ChEMBLCHEMBL2431135
IUPHARN/A
BindingDB50440746
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
71471G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
71470Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
71472Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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