BIRD-PRD_000421: ACE-PRO-ALA-PRO-PHE-ALDEHYDE, BOUND FORM

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_000421
• 状態: 状態: REF ONLY
• 名称: ACE-PRO-ALA-PRO-PHE-ALDEHYDE, BOUND FORM

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

• (2S)-1-acetyl-N-[(2S)-1-oxo-1-[(2S)-2-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyrrolidine-2-carboxamide (PubChem)

Annotation

• 分子機能: Inhibitor of PROTEINASE A (SGPA) / 情報源: PubMed: 6783761

External info

• ChemSpider: 4593514
• PubChem: 5496809

Family

PAP-phenylalaninal inhibitor

ACE-PRO-ALA-PRO-PHE-ALDEHYDE, BOUND FORM

Chemical information

組成

組成式: C₂₄H₃₂N₄O₅ / 化学式量: 456.535

• 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=O)Cc1ccccc1)C3N(C(=O)C(NC(=O)C2N(C(=O)C)CCC2)C)CCC3
• CACTVS 3.370: C[CH](NC(=O)[CH]1CCCN1C(C)=O)C(=O)N2CCC[CH]2C(=O)N[CH](Cc3ccccc3)C=O
• OpenEye OEToolkits 1.7.6: CC(C(=O)N1CCCC1C(=O)NC(Cc2ccccc2)C=O)NC(=O)C3CCCN3C(=O)C

SMILES CANONICAL

• CACTVS 3.370: C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3ccccc3)C=O
• OpenEye OEToolkits 1.7.6: C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C=O)NC(=O)[C@@H]3CCCN3C(=O)C

InChI

• InChI 1.03: InChI=1S/C24H32N4O5/c1-16(25-22(31)20-10-6-12-27(20)17(2)30)24(33)28-13-7-11-21(28)23(32)26-19(15-29)14-18-8-4-3-5-9-18/h3-5,8-9,15-16,19-21H,6-7,10-14H2,1-2H3,(H,25,31)(H,26,32)/t16-,19+,20-,21-/m0/s1

InChIKey

• InChI 1.03: MJWUWNGJTGOUCT-CZGNIMDHSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: 1-acetyl-L-prolyl-L-alanyl-N-[(2R)-1-oxo-3-phenylpropan-2-yl]-L-prolinamide
• OpenEye OEToolkits 1.7.6: (2S)-1-ethanoyl-N-[(2S)-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyrrolidine-2-carboxamide

PDBエントリ

全1件を表示しています

PDB-3sga:
STRUCTURES OF PRODUCT AND INHIBITOR COMPLEXES OF STREPTOMYCES GRISEUS PROTEASE A AT 1.8 ANGSTROMS RESOLUTION. A MODEL FOR SERINE PROTEASE CATALYSIS