Name: Siamycin I
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321680
Cas No:164802-68-0
常用名:Siamycin I
IUPAC:(2S)-2-[(2S)-2-{[(1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,51S,54R,60S)-4-benzyl-25-[(2S)-butan-2-yl]-60-(carbamoylmethyl)-39-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-7,22-dimethyl-51-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecaoxo-28,45-bis(propan-2-yl)-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecaazatricyclo[34.21.5.4^{13,54}]hexahexacontan-31-yl]formamido}-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid
IUPAC:(2S)-2-[(2S)-2-{[(1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,51S,54R,60S)-4-benzyl-25-[(2S)-butan-2-yl]-60-(carbamoylmethyl)-39-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-7,22-dimethyl-51-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecaoxo-28,45-bis(propan-2-yl)-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecaazatricyclo[34.21.5.4^{13,54}]hexahexacontan-31-yl]formamido}-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid
InChI key:TXYRKTDGDMHVHR-MTQWSCRLSA-N

分子式:C97H131N23O26S4
分子量:2163.49
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSSC[C@]3([H])NC(=O)C[C@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC1=O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@H](CC(C)C)NC3=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N2 |@:129|
SMILES:[H][C@]12CSSC[C@]3([H])NC(=O)C[C@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC1=O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@H](CC(C)C)NC3=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N2 |@:129|

Siamycin I is a tricyclic peptide originally isolated from Streptomyces and has antiviral and antibacterial activities. It is active against laboratory strains and clinical isolates of HIV-1 (ED50s = 0.05-0.45 and 0.89-5.7 μM, respectively), as well as the CBL-20 strain of HIV-2 (ED50 = 0.45 μM), in vitro. Siamycin I inhibits HIV-induced fusion of C8166 T cells with HIV-1-infected CEM-SS cells with an ED50 value of 0.08 μM. It is also active against B. subtilis, M. luteus, and S. aureus (MICs = 1.6-6.3 μg/ml). Siamycin I inhibits autophosphorylation of the E. faecalis quorum sensing kinase FsrC induced by gelatinase biosynthesis-activating pheromone (GBAP).

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