Name: CSP1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322756
Cas No:172889-49-5
常用名:CSP1
IUPAC:(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-hydroxypropanamido]hexanamido]-3-phenylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-methylpentanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]hexanamido]hexanoic acid
IUPAC:(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-hydroxypropanamido]hexanamido]-3-phenylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-methylpentanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]hexanamido]hexanoic acid
InChI key:UAYVTMYTRQNBHL-YSTVHMHISA-N

分子式:C103H168N30O24S
分子量:2242.72
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O

CSP1 is a highly potent and selective agonist of the ComD1 receptor, exhibiting an IC50 value of 10.3 nM. It represents a major variant of competence-stimulating peptide (CSP) and plays a crucial role in regulating the genetic transformation of S. pneumoniae through modulation of quorum sensing (QS). Additionally, CSP1 possesses antibacterial activity, further enhancing its potential as an effective antibacterial agent.

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