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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

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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

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Ligand

NameCHEMBL2331807
Molecular formulaC14H16N2O2
IUPAC name2-benzyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepin-3-one
Molecular weight244.294
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.3
SynonymsBDBM50428896
SCHEMBL10436754
SCHEMBL10436755
Inchi KeyBWAFYEDXZXBSIK-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16N2O2/c17-14-12-6-8-15-9-7-13(12)18-16(14)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2
PubChem CID14515725
ChEMBLCHEMBL2331807
IUPHARN/A
BindingDB50428896
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
342605-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
342595-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
342615-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460

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