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

NameCHEMBL2313512
Molecular formulaC19H16FN3O2
IUPAC name4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,4-benzoxazin-3-one
Molecular weight337.354
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.6
SynonymsBDBM50424640
SCHEMBL15120536
Inchi KeyAQPGFFGNLJLJCE-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H16FN3O2/c1-22-10-15(9-21-22)13-6-7-14(16(20)8-13)11-23-17-4-2-3-5-18(17)25-12-19(23)24/h2-10H,11-12H2,1H3
PubChem CID71540490
ChEMBLCHEMBL2313512
IUPHARN/A
BindingDB50424640
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11990Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460

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