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IPL344   Click here for help

GtoPdb Ligand ID: 13268

Synonyms: IPL-344
Compound class: Peptide
Comment: IPL344 is a lead candidate for the treatment of ALS. It is a heptapeptide that acts to reactivate the PI3K-Akt pathway that is impaired in ALS motor neurons and muscles. IPL344 is administered intravenously. An oral Akt activator for ALS (IPL699) is included in Immunity Pharma's preclinical development pipeline.
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N5CCC[C@H]5C(=O)O)N
Isomeric SMILES CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N5CCC[C@H]5C(=O)O)N
InChI InChI=1S/C41H61N7O9/c1-24(2)21-28(42)37(52)47-19-7-11-33(47)40(55)46-18-6-10-32(46)36(51)43-29(22-25(3)4)38(53)45-17-5-9-31(45)35(50)44-30(23-26-13-15-27(49)16-14-26)39(54)48-20-8-12-34(48)41(56)57/h13-16,24-25,28-34,49H,5-12,17-23,42H2,1-4H3,(H,43,51)(H,44,50)(H,56,57)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
InChI Key AGUSSGJBWOOHRG-NXBWRCJVSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Peptide Sequence Click here for help
H-LPPLPYP-OH
H-Leu-Pro-Pro-Leu-Pro-Tyr-Pro-OH
HELM Notation Click here for help
PEPTIDE1{L.P.P.L.P.Y.P}$$$$
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel