Name: Retrocyclin-1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584630
Cas No:
常用名:Retrocyclin-1
IUPAC:N-{3-[(1R,4S,7R,10S,16S,22R,25S,28R,31S,34R,37S,43S,49R,52S)-10,25,37,52-tetrakis[(2S)-butan-2-yl]-4,31,43-tris(3-carbamimidamidopropyl)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-octadecaoxo-56,57,60,61,64,65-hexathia-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-octadecaazatetracyclo[26.26.4.4^{7,22}.4^{34,49}]hexahexacontan-16-yl]propyl}guanidine
IUPAC:N-{3-[(1R,4S,7R,10S,16S,22R,25S,28R,31S,34R,37S,43S,49R,52S)-10,25,37,52-tetrakis[(2S)-butan-2-yl]-4,31,43-tris(3-carbamimidamidopropyl)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-octadecaoxo-56,57,60,61,64,65-hexathia-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-octadecaazatetracyclo[26.26.4.4^{7,22}.4^{34,49}]hexahexacontan-16-yl]propyl}guanidine
InChI key:HKPMSXLQWRKULW-QYJCGYSGSA-N

分子式:C74H128N30O18S6
分子量:1918.39
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC1=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N3)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]1([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2
SMILES:[H][C@]12CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC1=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N3)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]1([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2

Retrocyclin-1是一种θ防御素，具有识别并结合含碳水化合物表面分子的能力，能够保护细胞抵御HIV-1感染。该化合物对胎球蛋白、gp120（Kd=35.4 nM）、CD4（Kd=31 nM）以及半乳糖神经酰胺（Kd=24.1 nM）展现出高度亲和性。

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