BIRD-PRD_000414: Meo-Suc-Ala-Ala-Pro-Val-chloromethyl ketone

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_000414
• 状態: 状態: REF ONLY
• 名称: Meo-Suc-Ala-Ala-Pro-Val-chloromethyl ketone

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

• Elastase inhibitor III (SciFinder)
• L-Prolinamide, N-(4-methoxy-1,4-dioxobutyl)-L-alanyl-L-alanyl-N-[(1S)-3-chloro-1-(1-methylethyl)-2-oxopropyl]- (SciFinder)
• L-Prolinamide, N-(4-methoxy-1,4-dioxobutyl)-L-alanyl-L-alanyl-N-[3-chloro-1-(1-methylethyl)-2-oxopropyl]-, (S)- (SciFinder)
• MEOSUC-ALA-ALA-PRO-VAL-CHLOROMETHYLKETONE (ChemSpider)
• MSAAPVCK (ChemSpider)
• MeOSuc-AAPV-CMK (ChemSpider)
• N-(Methoxysuccinyl)-Ala-Ala-Pro-Val-chloromethyl ketone (ChemSpider)
• N-(Methoxysuccinyl)-L-alanyl-L-alanyl-L-prolyl-L-valine chloromethylketone (ChemSpider)
• SPCK (SciFinder)
• methoxy-Suc-Ala-Ala-Pro-Val-chloromethyl ketone (ChemSpider)
• methoxysuccinyl-alanyl-alanyl-prolyl-valine chloromethyl ketone (ChemSpider)

Annotation

• 分子機能: Inhibitor of HUMAN LEUKOCYTE ELASTASE, EC: 3.4.21.37EC: Inhibitor of HUMAN LEUKOCYTE ELASTASE, EC: 3.4.21.37 / 情報源: PubMed: 3391280

External info

• ChemSpider: 4589024
• CAS: 65144-34-5

Family

SUCCINYL-PEPTIDE-CHLOROMETHYLKETONE INHIBITORS

SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYLKETONE / methoxysuccinyl-alanyl-alanyl-prolyl-alanine chloromethyl ketone / Meo-Suc-Ala-Ala-Pro-Val-chloromethyl ketone

Chemical information

組成

組成式: C₂₂H₃₉ClN₄O₇ / 化学式量: 507.021

• 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(C(C)C)C(O)CCl)C1N(C(=O)C(NC(=O)C(NC(=O)CCC(O)OC)C)C)CCC1
• CACTVS 3.370: CO[CH](O)CCC(=O)N[CH](C)C(=O)N[CH](C)C(=O)N1CCC[CH]1C(=O)N[CH](C(C)C)[CH](O)CCl
• OpenEye OEToolkits 1.7.6: CC(C)C(C(CCl)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C)NC(=O)CCC(O)OC

SMILES CANONICAL

• CACTVS 3.370: CO[C@H](O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)[C@H](O)CCl
• OpenEye OEToolkits 1.7.6: C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(CCl)O)NC(=O)CCC(O)OC

InChI

• InChI 1.03: InChI=1S/C22H39ClN4O7/c1-12(2)19(16(28)11-23)26-21(32)15-7-6-10-27(15)22(33)14(4)25-20(31)13(3)24-17(29)8-9-18(30)34-5/h12-16,18-19,28,30H,6-11H2,1-5H3,(H,24,29)(H,25,31)(H,26,32)/t13-,14-,15?,16?,18?,19-/m0/s1

InChIKey

• InChI 1.03: FVDKKBYCSINGBW-DIAJEADNSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N-[(4R)-4-hydroxy-4-methoxybutanoyl]-L-alanyl-L-alanyl-N-[(2R,3S)-1-chloro-2-hydroxy-4-methylpentan-3-yl]-L-prolinamide
• OpenEye OEToolkits 1.7.6: (2S)-N-[(3S)-1-chloranyl-4-methyl-2-oxidanyl-pentan-3-yl]-1-[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxidanyl-butanoyl)amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide

PDBエントリ

全1件を表示しています

PDB-1ppg:
The refined 2.3 angstroms crystal structure of human leukocyte elastase in a complex with a valine chloromethyl ketone inhibitor