BIRD-PRD_000334: BENZYLOXYCARBONYL-GLYCYL-PHENYLALANYL-METHYLENYLGLYCYL DERIVATIVE

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_000334
• 状態: 状態: REF ONLY
• 名称: BENZYLOXYCARBONYL-GLYCYL-PHENYLALANYL-METHYLENYLGLYCYL DERIVATIVE

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

• ZGPGCK (PDB)

Annotation

• 分子機能: chloromethyl ketone inhibitor of Papain, EC: 3.4.22.2EC: chloromethyl ketone inhibitor of Papain, EC: 3.4.22.2 / 情報源: PubMed: 952885

Family

GFG-based-chloromethylketone

BENZYLOXYCARBONYL-GLYCYL-PHENYLALANYL-METHYLENYLGLYCYL DERIVATIVE / Z-GLY-GLY-PHE-CHLOROMETHYL KETONE (BOUND FORM)

Chemical information

組成

組成式: C₂₂H₂₄ClN₃O₅ / 化学式量: 445.896

• 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: ClCC(=O)CNC(=O)C(NC(=O)CNC(=O)OCc1ccccc1)Cc2ccccc2
• CACTVS 3.370: ClCC(=O)CNC(=O)[CH](Cc1ccccc1)NC(=O)CNC(=O)OCc2ccccc2
• OpenEye OEToolkits 1.7.6: c1ccc(cc1)CC(C(=O)NCC(=O)CCl)NC(=O)CNC(=O)OCc2ccccc2

SMILES CANONICAL

• CACTVS 3.370: ClCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc2ccccc2
• OpenEye OEToolkits 1.7.6: c1ccc(cc1)C[C@@H](C(=O)NCC(=O)CCl)NC(=O)CNC(=O)OCc2ccccc2

InChI

• InChI 1.03: InChI=1S/C22H24ClN3O5/c23-12-18(27)13-24-21(29)19(11-16-7-3-1-4-8-16)26-20(28)14-25-22(30)31-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,24,29)(H,25,30)(H,26,28)

InChIKey

• InChI 1.03: HXVSUVCIQJYIIX-UHFFFAOYSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N-[(benzyloxy)carbonyl]glycyl-N-(3-chloro-2-oxopropyl)-L-phenylalaninamide
• OpenEye OEToolkits 1.7.6: (phenylmethyl) N-[2-[[(2S)-1-[(3-chloranyl-2-oxidanylidene-propyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamate

PDBエントリ

全1件を表示しています

PDB-5pad:
BINDING OF CHLOROMETHYL KETONE SUBSTRATE ANALOGUES TO CRYSTALLINE PAPAIN