Name: Calmodulin-Dependent Protein Kinase II (290-309)
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HIT ID:HIT217670796
Cas No:115044-69-4
常用名:Calmodulin-Dependent Protein Kinase II (290-309)
常用名:Calmodulin-Dependent Protein Kinase II (290-309)
别名:Calmodulin-Dependent Protein Kinase II(290-309)
别名:Calmodulin-Dependent Protein Kinase II(290-309)
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-amino-4-methylpentanamido]hexanamido]hexanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]hexanamido]-4-methylpentanamido]hexanamido]acetamido}propanamido]-3-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanamido]propanoic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-amino-4-methylpentanamido]hexanamido]hexanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]hexanamido]-4-methylpentanamido]hexanamido]acetamido}propanamido]-3-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanamido]propanoic acid
InChI key:LRKHMNPQPYICFK-RBGVSSEXSA-N

分子式:C103H185N31O24S
分子量:2273.87
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O

Calmodulin-Dependent Protein Kinase II (290-309) is a potent CaMK antagonist with an IC50 of 52 nM for inhibiting Ca2+/calmodulin-dependent protein kinase II.

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