BIRD-PRD_000402: methoxysuccinyl-alanyl-alanyl-prolyl-alanine 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_000402
• 状態: 状態: REF ONLY
• 名称: methoxysuccinyl-alanyl-alanyl-prolyl-alanine 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

• L-Prolinamide, N-(4-methoxy-1,4-dioxobutyl)-L-alanyl-L-alanyl-N-(3-chloro-1-methyl-2-oxopropyl)-, (S)- (Scifinder, PubChem)
• L-Prolinamide, N-(4-methoxy-1,4-dioxobutyl)-L-alanyl-L-alanyl-N-[(1S)-3-chloro-1-methyl-2-oxopropyl]- (Scifinder)
• MSACK (PDB)
• MeOSuc-Ala-Ala-Pro-Ala-CMK (PubChem)
• MeOSuc-Ala-Ala-Pro-Ala-Chloromethylketone (PubChem)
• Methoxysuccinyl-alanyl-alanyl-prolyl-alanine chloromethyl ketone (PubChem, ChemSpider)

Annotation

• 分子機能: Inhibitor of HUMAN LEUCOCYTE ELASTASE, EC: 3.4.21.37EC: Inhibitor of HUMAN LEUCOCYTE ELASTASE, EC: 3.4.21.37 / 情報源: PubMed: 2911584

External info

• ChemSpider: 8565604
• PubChem: 10390162

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: C₂₀H₃₃ClN₄O₇ / 化学式量: 476.952

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

SMILES CANONICAL

• CACTVS 3.370: COC(=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@H](O)CCl
• OpenEye OEToolkits 1.7.6: C[C@@H](C(CCl)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC

InChI

• InChI 1.03: InChI=1S/C20H33ClN4O7/c1-11(15(26)10-21)23-19(30)14-6-5-9-25(14)20(31)13(3)24-18(29)12(2)22-16(27)7-8-17(28)32-4/h11-15,26H,5-10H2,1-4H3,(H,22,27)(H,23,30)(H,24,29)

InChIKey

• InChI 1.03: ZPNCQVUAKGJRMW-UHFFFAOYSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(2R,3S)-4-chloro-3-hydroxybutan-2-yl]-L-prolinamide
• OpenEye OEToolkits 1.7.6: methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-4-chloranyl-3-oxidanyl-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate

PDBエントリ

全3件を表示しています

PDB-1hne:
Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at 1.84-angstroms resolution

PDB-2rdl:
Hamster Chymase 2

PDB-3prk:
INHIBITION OF PROTEINASE K BY METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE. AN X-RAY STUDY AT 2.2-ANGSTROMS RESOLUTION