Name: Phage-derived 12/1 peptide
Rating: 5 (10 reviews)

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HIT ID:HIT218848691
Cas No:186180-20-1
常用名:Phage-derived 12/1 peptide
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-[({[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-[({[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]butanoic acid
InChI key:RGOFIFHQAOWKKW-HWFADAJJSA-N

分子式:C71H99N17O19S2
分子量:1558.79
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O
SMILES:CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O

Phage-derived 12/1 peptide通过靶向MDM2和MDMX破坏 MDM2-p53 和 MDMX-p53 相互作用，发挥抗肿瘤活性，IC50为0.15和1.25 μM。

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