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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

NameMLS002589217
Molecular formulaC22H21N3O5
IUPAC name2-[4-[2-(4-hydroxyphenyl)ethylamino]-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Molecular weight407.426
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.9
SynonymsAKOS002123375
EU-0098435
SR-01000076568
HMS2590L20
SR-01000076568-1
[ Show all ]
Inchi KeyBJRYZTDRHVYPTC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21N3O5/c26-16-8-5-14(6-9-16)11-12-23-19-10-7-15(13-20(19)25(29)30)24-21(27)17-3-1-2-4-18(17)22(24)28/h1-2,5-10,13,17-18,23,26H,3-4,11-12H2
PubChem CID12004459
ChEMBLCHEMBL1418821
IUPHARN/A
BindingDBN/A
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25399Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
25400Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
25401Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
466056Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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