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Ligand

NameAC1MVUYC
Molecular formulaC26H30N2O5S
IUPAC nameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
Molecular weight482.595
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsAKOS000382536
ZINC15229739
MCULE-6687681846
N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(3-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
MolPort-003-879-491
[ Show all ]
Inchi KeyAVKWJVNSLPUXOM-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N2O5S/c1-19-8-11-23(12-9-19)34(30,31)28(22-7-5-6-20(2)16-22)18-26(29)27-15-14-21-10-13-24(32-3)25(17-21)33-4/h5-13,16-17H,14-15,18H2,1-4H3,(H,27,29)
PubChem CID3689365
ChEMBLCHEMBL238512
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
15369Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402

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