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MYP_058334
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Basic Information
[P5K,D9K]Hymenochirin-1B
Anticancer
Antimicrobial
Antimicrobial ▸ Antibacterial
Antimicrobial ▸ Antibacterial ▸ Anti-Gram-negative
Antimicrobial ▸ Antibacterial ▸ Anti-Gram-positive
Antimicrobial ▸ Antifungal
Toxicity / Safety ▸ Blood cell toxicity ▸ Hemolysis ▸ Hemolytic
Standard
29 amino acids
C142H263N39O35S
Standard
Sequence
IKLSKETKKNLKKVLKGAIKGAIAVAKMV
Physicochemical Analysis
3108.91 Da
10.54
7.75
7.54
0.2674
0.08
0.69
-0.02
-8.38
124.48
0.0000
0.00
0.00
The radar chart summarizes major physicochemical dimensions for quick comparison, while exact numerical values remain listed on the left.
Residue Composition
Amino Acid Composition
Chemical Descriptors
1233.15
-8.41
43.0
44.0
118.0
217.0
0.0
29.0
Structural Visualization
3D PDB MODEL
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2D CHEMICAL STRUCTURE
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Experimental Records
RECORD: Rec_0382255 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
Hymenochirin
32630
Structure & Mods
hydrocarbon-stapled side-chain cyclic peptide [Cyclic]
noncanonical stereochemical modification [Modified]
None
Amidation
The Ⓧ (position: 18 and 22) in sequence indicate (S)-N-Fmoc-2-(4'-pentenyl)alanine. Ⓧ (18) and Ⓧ (22) are cross-linked by ring-closing metathesis through an oct-4-enyl hydrocarbon staple
Bio-Activity Profile
Anticancer
HCT116
1.78±0.35 μM
IC50
PaperYulei Li, Yihan Zhang, Minghao Wu, Qi Chang, Honggang Hu, Xia Zhao. Improving Selectivity, Proteolytic Stability, and Antitumor Activity of Hymenochirin-1B: A Novel Glycosylated Staple Strategy. ACS Chem Biol. 2019 Mar 15;14(3):516-525. doi: 10.1021/acschembio.9b00046. Epub 2019 Mar 1. PMID30789695 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/30789695/
RECORD: Rec_0385977 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
Hymenochirin
32630
Structure & Mods
hydrocarbon-stapled side-chain cyclic peptide [Cyclic]
noncanonical stereochemical modification [Modified]
None
Amidation
The S (position: 4), T (position: 7) and N (position: 10) in sequence are linked with N-acetylglucosamine (GlcNAc), respectively. The Ⓧ (position: 18 and 22) indicate (S)-N-Fmoc-2-(4'-pentenyl)alanine. Ⓧ (18) and Ⓧ (22) are cross-linked by ring-closing metathesis through an oct-4-enyl hydrocarbon staple, respectively
Bio-Activity Profile
Anticancer
HCT116
1.65±0.28 μM
IC50
PaperYulei Li, Yihan Zhang, Minghao Wu, Qi Chang, Honggang Hu, Xia Zhao. Improving Selectivity, Proteolytic Stability, and Antitumor Activity of Hymenochirin-1B: A Novel Glycosylated Staple Strategy. ACS Chem Biol. 2019 Mar 15;14(3):516-525. doi: 10.1021/acschembio.9b00046. Epub 2019 Mar 1. PMID30789695 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/30789695/
RECORD: Rec_0389239 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
32630
Structure & Mods
linear peptide [Linear]
canonical L-amino-acid peptide [L]
Bio-Activity Profile
Antimicrobial Antibacterial Antifungal
Acinetobacter baumannii
3.1 μM
MIC
PMID24185042;24172540 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/24185042/
RECORD: Rec_0394771 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
Hymenochirin
32630
Structure & Mods
hydrocarbon-stapled side-chain cyclic peptide [Cyclic]
noncanonical stereochemical modification [Modified]
None
Amidation
The Ⓧ (position: 18 and 22) in sequence indicate (S)-N-Fmoc-2-(4'-pentenyl)alanine. Ⓧ (18) and Ⓧ (22) are cross-linked by ring-closing metathesis through an oct-4-enyl hydrocarbon staple
Bio-Activity Profile
Hemolytic
fresh rabbit blood cells
1.0 μM
Hemolysis
PaperYulei Li, Yihan Zhang, Minghao Wu, Qi Chang, Honggang Hu, Xia Zhao. Improving Selectivity, Proteolytic Stability, and Antitumor Activity of Hymenochirin-1B: A Novel Glycosylated Staple Strategy. ACS Chem Biol. 2019 Mar 15;14(3):516-525. doi: 10.1021/acschembio.9b00046. Epub 2019 Mar 1. PMID30789695 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/30789695/
RECORD: Rec_0397639 VERIFIED: YES
Provenance & Taxonomy
synthetic construct [Synthetic]
Hymenochirin
32630
Structure & Mods
hydrocarbon-stapled side-chain cyclic peptide [Cyclic]
noncanonical stereochemical modification [Modified]
None
Amidation
The Ⓧ (position: 18 and 22) in sequence indicate (S)-N-Fmoc-2-(4'-pentenyl)alanine. Ⓧ (18) and Ⓧ (22) are cross-linked by ring-closing metathesis through an oct-4-enyl hydrocarbon staple
Bio-Activity Profile
Hemolytic
fresh rabbit blood cells
10.0 μM
Hemolysis
PaperYulei Li, Yihan Zhang, Minghao Wu, Qi Chang, Honggang Hu, Xia Zhao. Improving Selectivity, Proteolytic Stability, and Antitumor Activity of Hymenochirin-1B: A Novel Glycosylated Staple Strategy. ACS Chem Biol. 2019 Mar 15;14(3):516-525. doi: 10.1021/acschembio.9b00046. Epub 2019 Mar 1. PMID30789695 Evidence URLhttps://pubmed.ncbi.nlm.nih.gov/30789695/
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