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Ligand

NameMLS000681499
Molecular formulaC20H15N3O8
IUPAC name[2-(3-nitrophenyl)-2-oxoethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
Molecular weight425.353
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.4
SynonymsZINC2749770
2-[(2-phthalimidoacetyl)amino]acetic acid [2-keto-2-(3-nitrophenyl)ethyl] ester
cid_2165745
AC1M2AJF
SR-01000439110
[ Show all ]
Inchi KeyAGJBCVULVQCCCS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15N3O8/c24-16(12-4-3-5-13(8-12)23(29)30)11-31-18(26)9-21-17(25)10-22-19(27)14-6-1-2-7-15(14)20(22)28/h1-8H,9-11H2,(H,21,25)
PubChem CID2165745
ChEMBLCHEMBL1430172
IUPHARN/A
BindingDB67265
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4915Apelin receptorP35414APLNRHomo sapiens (Human)380
4914Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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