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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

NameAC1NSIFU
Molecular formulaC18H25N5O3S
IUPAC name7-ethyl-1,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Molecular weight391.49
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.9
SynonymsMolPort-003-040-968
CHEMBL1499181
SCHEMBL1279938
7-ethyl-1,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
MCULE-7867844771
[ Show all ]
Inchi KeyIKSHHOBCJKJKOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H25N5O3S/c1-5-12-19-15-14(17(25)22(4)18(26)21(15)3)16(20-12)27-10-13(24)23-8-6-11(2)7-9-23/h11H,5-10H2,1-4H3
PubChem CID5310181
ChEMBLCHEMBL1499181
IUPHARN/A
BindingDB211239
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
479628Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
520273Taste receptor type 2 member 14Q9NYV8TAS2R14Homo sapiens (Human)317
135615Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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