+データを開く
-基本情報
登録情報 | データベース: PDB化学物質要素 / ID: 2TS |
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名称 | 名称: ( 別称: (S)-1-((R)-5-Guanidino-2-phenylmethanesulfonylamino-pentanoyl)-pyrrolidine-2-carboxylic acid 2aminomethyl-5-chloro-benzylamide |
-BIRD information
タイプ | ペプチド様 / トロンビン阻害剤 |
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ダウンロード | Molecular definition / Chemical definition / Family definition |
別称 |
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Annotation |
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External info | |
Family | Chlorobenzyl-dimethylanamine inhibitors N~2~-(benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide / N-(BENZYLSULFONYL)-3-CYCLOHEXYL-D-ALANYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE / N-(BENZYLSULFONYL)GLYCYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE ...N~2~-(benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide / N-(BENZYLSULFONYL)-3-CYCLOHEXYL-D-ALANYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE / N-(BENZYLSULFONYL)GLYCYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE / N-(BENZYLSULFONYL)-D-VALYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE / N-(BENZYLSULFONYL)-D-ALANYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE / N-(BENZYLSULFONYL)-D-LEUCYL-N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-L-PROLINAMIDE / (2S)-N-[[2-(AMINOMETHYL)-5-CHLORANYL-PHENYL]METHYL]-1-[(2S)-2-[(3-CHLORANYL-4-METHOXY-PHENYL)SULFONYLAMINO]-4-[(4-CYANOPHENYL)METHYLAMINO]-4-OXIDANYLIDENE-BUTANOYL]PYRROLIDINE-2-CARBOXAMIDE |
-Chemical information
組成 | 組成式: C26H36ClN7O4S / 原子数: 75 / 化学式量: 578.127 / 形式電荷: 0 | ||||||||||||
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その他 | タイプ: peptide-like / PDB分類: HETAIN / 3文字コード: 2TS / 理論座標の詳細: Corina / モデル座標のPDB-ID: 3EQ0 / 子要素: PMS, DAR, PRO, 00T | ||||||||||||
履歴 |
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外部リンク | UniChem / BindingDB / Brenda / ChEMBL / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-構造の表示
構造ビューア | 分子: MolmilJmol/JSmol |
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-詳細
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.5 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.5 | [ | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | ( | |
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