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  3. HIT218852048
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HIT218852048
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HIT218852048
  • HIT ID:HIT218852048
  • Cas No:148067-21-4
  • 常用名:Calcineurin Autoinhibitory Peptide
    常用名:Calcineurin Autoinhibitory Peptide
  • IUPAC:(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-4-carboxybutanamido]-4-carboxybutanamido]propanamido]hexanamido]acetamido}-4-methylpentanamido]-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid
    IUPAC:(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-4-carboxybutanamido]-4-carboxybutanamido]propanamido]hexanamido]acetamido}-4-methylpentanamido]-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid
  • InChI key:JRQDGUSHUYLSHC-TVQDNDAUSA-N
  • 分子式:C124H205N39O39S2
  • 分子量:2930.36
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(O)=O
    SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(O)=O
  • Selective inhibitor of Ca2+-calmodulin-dependent protein phosphatase (calcineurin) (IC50 ~ 10 μM). Does not inhibit PP1, PP2A or CaM kinase II (IC50 > 100 mM).
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    纯度
    -
    ¥ 3,990.00
    1

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