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

NameCHEMBL446459
Molecular formulaC14H19F2N3O
IUPAC nameN-(2,2-difluoroethyl)-4-methyl-8-propan-2-yloxy-3,4-dihydro-1H-quinazolin-2-imine
Molecular weight283.323
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50371980
SCHEMBL1379614
Inchi KeyADOGGHZNEGBRNB-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H19F2N3O/c1-8(2)20-11-6-4-5-10-9(3)18-14(19-13(10)11)17-7-12(15)16/h4-6,8-9,12H,7H2,1-3H3,(H2,17,18,19)
PubChem CID135458427
ChEMBLCHEMBL446459
IUPHARN/A
BindingDB50371980
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29155-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
29145-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
29175-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
29165-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
29185-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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