ChemComp-LPR: [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE

基本情報

• 登録情報: データベース: PDB化学物質要素 / ID: LPR
• 名称: 名称: [N2-[(S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline; 別称: LISINOPRIL / 日化辞名称: リシノプリル
• コメント: 薬剤, 阻害剤*YM

BIRD information

• タイプ: オリゴペプチド / 酵素阻害剤
• ダウンロード: Molecular definition / Chemical definition / Family definition

別称

• (2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid (PubChem)
• (S)-1-(N(2)-(1-carboxy-3-phenylpropyl)-L-lysyl)-L-proline (PubChem)
• (S)-1-(N(sup 2)-(1-Carboxy-3-phenylpropyl)-L-lysyl)-L-proline (PubChem)
• (S)-1-(N2-(1-Carboxy-3-phenylpropyl)-L-lysyl)-L-proline (PubChem)
• 1-(N2-(1-Carboxy-3-phenylpropyl)-L-lysyl)-L-proline (PubChem)
• 1-[Nalpha-[(S)-1-Carboxy-3-phenylpropyl]-L-lysyl]-L-proline (PubChem)
• Acerbon (PubChem)
• Acercomp (PubChem)
• Acercomp (AstraZeneca/Promed) (DrugBank)
• Alapril (PubChem)
• Carace (PubChem)
• Cipral (PubChem)
• Cipril (PubChem)
• Coric (PubChem)
• Doneka (PubChem)
• Inhibril (DrugBank, PubChem)
• Inopril (PubChem)
• L-Proline, 1-(N(sup 2)-(1-carboxy-3-phenylpropyl)-L-lysyl)-, (S)- (PubChem)
• L-Proline, 1-(N2-(1-carboxy-3-phenylpropyl)-L-lysyl)- (PubChem)
• L-Proline, 1-(N2-(1-carboxy-3-phenylpropyl)-L-lysyl)-, dihydrate, (S)- (PubChem)
• L-Proline, N2-((1S)-1-carboxy-3-phenylpropyl)-L-lysyl- (PubChem)
• Linopril (PubChem)
• Linopril (Klinger (Brazil)) (DrugBank)
• Linvas (PubChem)
• Lipril (PubChem)
• Lisinal (PubChem)
• Lisinopril (PubChem)
• Lisinopril Dihydrate (DrugBank)
• Lisinopril dihydrate (SciFinder)
• Lisinoprilum (PubChem)
• Lisipril (PubChem)
• Lisipril (Hexal (Czech Republic), Orion (Finland)) (DrugBank)
• Lisoril (PubChem)
• Lispril (PubChem)
• Longes (PubChem)
• Loril (PubChem)
• Lysinopril (DrugBank, PubChem)
• N(2)-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline (PubChem)
• N-(1(S)-Carboxy-3-phenylpropyl)-L-lysyl-L-proline (PubChem)
• N2-((S)-1-Carboxy-3-phenylpropyl)-L-lysyl-L-proline (PubChem)
• N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline (PubChem)
• Nanopril (SciFinder)
• Noperten (SciFinder, PubChem)
• Noperten (Dexa (Indonesia)) (DrugBank)
• Novatec (SciFinder, PubChem)
• Presiten (DrugBank, SciFinder, PubChem)
• Prinil (SciFinder, PubChem)
• Prinivil (SciFinder, PubChem)
• Prinivil (Merck Frosst) (DrugBank)
• Prinvil (SciFinder)
• Ranolip (SciFinder)
• Sinopril (PubChem)
• Sinopril (Eczacibasi (Russia)) (DrugBank)
• Sinopryl (PubChem)
• Tensopril (SciFinder, PubChem)
• Tensyn (SciFinder, PubChem)
• Tersif (PubChem)
• Vivatec (SciFinder, PubChem)
• Zestril (SciFinder, PubChem)
• Zestril (AstraZeneca) (DrugBank)
• [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE (PubChem, PDB)

Annotation

• 分子機能: One of the ANGIOTENSIN-CONVERTING ENZYME INHIBITORS (ACE inhibitors), orally active, that has been used inthe treatment of hypertension and congestive heart failure. / 情報源: MESH
• Structure: Lisinopril is the lysine ester of enalaprilat, the active form of the prodrug enalapril, lisinopril isactive unchanged. / 情報源: PDB

External info

• ATCcode: C09AA03
• BIDD: GT0755
• BindingDB: 50189453
• CCRIS: 3568
• ChemIDplus: 076547983
• ChemIDplus: 077726955
• DrugBank: DB00722
• EINECS: 278-488-1
• LeadScope: LS-118899
• MolPort: MolPort-002-507-428
• MESH: D017706
• ChemSpider: 4514933
• ChEBI: 43755
• ChEMBL: 1237
• PubChem: 5362119
• CAS: 76547-98-3
• CAS: 77726-95-5
• CAS: 82009-35-6
• CAS: 83915-83-7
• CAS: 94133-19-4
• [KEGG_Drug_ID] KEGG: D00362
• [KEGG_Drug_ID] KEGG: D08131
• Wikipedia: Lisinopril
• Wikipedia

Family

Lisinopril

Lisinopril

Related structures

• bis((mu-2--N'-(S-1-Carboxy-3-phenylpropyl)-L-lysyl-L-proline)-aqua-copper(ii)) diperchlorate / CCDC / Reference

Chemical information

組成

組成式: C₂₁H₃₁N₃O₅ / 原子数: 60 / 化学式量: 405.488 / 形式電荷: 0

その他

1o86

CLT

LYS

PRO

タイプ: NON-POLYMER / PDB分類: HETAIN / 3文字コード: LPR / モデル座標のPDB-ID: 1O86 / 子要素: CLT, LYS, PRO

履歴

作成	2002年11月25日
記述子を修正	2011年6月4日
Modify synonyms	2020年6月5日

• 外部リンク: UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / 日化辞 / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

詳細

SMILES

• ACDLabs 10.04: O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)CCCCN)CCC2
• CACTVS 3.341: NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O
• OpenEye OEToolkits 1.5.0: c1ccc(cc1)CCC(C(=O)O)NC(CCCCN)C(=O)N2CCCC2C(=O)O

SMILES CANONICAL

• CACTVS 3.341: NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N2CCC[C@H]2C(O)=O
• OpenEye OEToolkits 1.5.0: c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O

InChI

• InChI 1.03: InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1

InChIKey

• InChI 1.03: RLAWWYSOJDYHDC-BZSNNMDCSA-N

SYSTEMATIC NAME

• ACDLabs 10.04: N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline
• OpenEye OEToolkits 1.5.0: (2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenyl-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

PDBエントリ

全4件を表示しています

PDB-1j36:
Crystal Structure of Drosophila AnCE

PDB-1o86:
Crystal Structure of Human Angiotensin Converting Enzyme in complex with lisinopril.

PDB-2c6n:
Structure of human somatic angiontensin-I converting enzyme N domain with lisinopril

PDB-2x91:
Crystal structure of AnCE-lisinopril complex