BIRD-PRD_000422: Ac-Asp-Glu-Val-Asp-Aldehyde

基本情報

• 登録情報: データベース: 生物学的重要分子辞書 (BIRD) / ID: PRD_000422
• 状態: 状態: REF ONLY
• 名称: Ac-Asp-Glu-Val-Asp-Aldehyde

BIRD information

• タイプ: ペプチド様 / 阻害剤
• ダウンロード: Molecular definition / Chemical definition / Family definition

別称

• AL010 (PubChem)
• Ac-Asp-Glu-Val-Asp-Aldehyde (eMolecules)
• Ac-Asp-Glu-Val-Asp-CHO (PubChem)
• Ac-DEVD-CHORN] (ChemSpider)
• Ac-DEVD-Cho (PDB)
• CPP32/Apopain Inhibitor (PubChem)
• Caspase-3 Inhibitor I (PubChem)
• ICE INHIBITOR (eMolecules)
• L 761191 (Scifinder, PubChem)
• L-Valinamide, N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-(2-carboxy-1-formylethyl)-, (S)- (Scifinder, ChemSpider)
• L-Valinamide, N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-2-carboxy-1-formylethyl]- (Scifinder)
• L-Valinamide, N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-2-carboxy-1-formylethyl]- (9CI) (ChemSpider)
• L-valinamide, N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-2-carboxy-1-formylethyl]- (PubChem)
• L-valinamide, N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-2-carboxy-1-formylethyl]-- (ChemSpider)
• MF 191 (Scifinder, PubChem)
• N-Ac-Asp-Glu-Val-Asp-CHO (eMolecules)
• N-Acetyl-Asp-Glu-Val-Asp-al (eMolecules)
• N-acetyl-asp-glu-val-asp-al (eMolecules)

Annotation

• 分子機能: Inhibitor of CASPASE-3, EC: 3.4.22.-EC: Inhibitor of CASPASE-3, EC: 3.4.22.- / 情報源: PubMed: 16781734
• 分子機能: inhibitor of caspase-3, caspase-6, caspase-7, caspase-8, and caspase-10 / 情報源: InhibitorSourceBook

External info

• BIND: 2252
• BindingDB: 10246
• InhibitorSourceBook: 235420
• ChemSpider: 559351
• ChEBI: 151210
• ChEBI: 59385
• PubChem: 644345
• CAS: 169332-60-9
• [MeSH_Unique_ID] MeSH: C099158
• eMolecules: more?vid=533646

Family

DVAD-CHO inhibitors

(3S)-5-(benzylsulfanyl)-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-4-oxopentanoic acid / Ac-Asp-Glu-Val-Asp-Aldehyde / Caspase-2 Inhibitor; Ac-VDVAD-Cho / CASPASE-7 INHIBITOR AC-DMQD-CHO / N-acetyl-L-alanyl-L-alpha-aspartyl-L-valyl-N-[(2R)-1-carboxy-3-oxopropan-2-yl]-L-alaninamide / N-acetyl-L-valyl-L-alpha-aspartyl-L-valyl-N-[(2R)-1-carboxy-3-oxopropan-2-yl]-L-alaninamide / N-acetyl-L-alpha-aspartyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-alaninamide / Peptide inhibitor (ACE)VDV(3PX)D-CHO / N-[(benzyloxy)carbonyl]-L-alpha-aspartyl-L-alpha-glutamyl-L-valyl-L-aspartic acid

Chemical information

組成

組成式: C₂₀H₃₂N₄O₁₁ / 化学式量: 504.488

• その他: タイプ: peptide-like

履歴

• 外部リンク: UniChem / ChemSpider / Wikipedia search / Google search

詳細

SMILES

• ACDLabs 12.01: O=C(NC(CC(=O)O)CO)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)O)CCC(=O)O)C(C)C
• CACTVS 3.370: CC(C)[CH](NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CC(O)=O)NC(C)=O)C(=O)N[CH](CO)CC(O)=O
• OpenEye OEToolkits 1.7.6: CC(C)C(C(=O)NC(CC(=O)O)CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

SMILES CANONICAL

• CACTVS 3.370: CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@H](CO)CC(O)=O
• OpenEye OEToolkits 1.7.6: CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

• InChI 1.03: InChI=1S/C20H32N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h9,11-13,17,25H,4-8H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)

InChIKey

• InChI 1.03: RVYBZDAJEFLRMC-UHFFFAOYSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(2R)-1-carboxy-3-hydroxypropan-2-yl]-L-valinamide
• OpenEye OEToolkits 1.7.6: (4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[[(2S)-1,4-bis(oxidanyl)-4-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

PDBエントリ

全11件を表示しています

1f1j

1pau

2h5i

3h1p

4dcj

4dco

4dcp

4hqr

4zvr

4zvs

8dgz