pr1 nanopeptide   Click here for help

GtoPdb Ligand ID: 8263

Compound class: Peptide
Comment: PR1 nanopeptide is is a nonapeptide sequence found in human proteinase 3 (PRTN3) and ELA2 which is expressed as a leukemia-associated antigen [1]. PR1 nanopeptide elicits potent binding to HLA-A2.1.
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 OC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)C(O)C)C(C)C)CC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)N)CC(C)C)CCC(=O)N
Isomeric SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)C(C)C
InChI InChI=1S/C45H79N11O15/c1-19(2)16-27(40(65)52-29(18-31(47)59)41(66)54-34(22(7)8)43(68)56-36(24(11)57)44(69)55-35(23(9)10)45(70)71)51-38(63)26(13-15-32(60)61)49-37(62)25(12-14-30(46)58)50-39(64)28(17-20(3)4)53-42(67)33(48)21(5)6/h19-29,33-36,57H,12-18,48H2,1-11H3,(H2,46,58)(H2,47,59)(H,49,62)(H,50,64)(H,51,63)(H,52,65)(H,53,67)(H,54,66)(H,55,69)(H,56,68)(H,60,61)(H,70,71)/t24-,25+,26+,27+,28+,29+,33+,34+,35+,36+/m1/s1
InChI Key WOACUGNMTZAEJZ-GXLXRQKGSA-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/)
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Summary of Clinical Use Click here for help
In 2004 the European Medicines Agency (EMA) granted this peptide orphan designation for the treatment of the rare blood cancer, chronic myeloid leukemia.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
PR1 peptide elicits T-cell immunity to PR1 via the production of cytotoxic T-cells (CTLs) [2-4]. These CTLs show preferential cytotoxicity toward allogeneic HLA-A2.1+ myeloid leukemia cells [3].