Name: CTTHWGFTLC, CYCLIC
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851901
Cas No:244082-19-7
常用名:CTTHWGFTLC, CYCLIC
IUPAC:(4R,7S,10S,13S,19S,22S,25S,28S,31R)-31-amino-13-benzyl-10,25,28-tris[(1R)-1-hydroxyethyl]-22-[(1H-imidazol-5-yl)methyl]-19-[(1H-indol-3-yl)methyl]-7-(2-methylpropyl)-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontane-4-carboxylic acid
IUPAC:(4R,7S,10S,13S,19S,22S,25S,28S,31R)-31-amino-13-benzyl-10,25,28-tris[(1R)-1-hydroxyethyl]-22-[(1H-imidazol-5-yl)methyl]-19-[(1H-indol-3-yl)methyl]-7-(2-methylpropyl)-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontane-4-carboxylic acid
InChI key:YAJDFZGRPZQVJN-JIYQNHPRSA-N

分子式:C52H71N13O14S2
分子量:1166.34
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(O)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
SMILES:[H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(O)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

This cyclic CTT Gelatinase Inhibitor peptide is an inhibitor for matrix metalloproteinases (MMP)-2 and MMP-9. It is also called type IV collagenase or gelatinase. Gelatinases are potential targets of therapeutic intervention in cancer, and inhibitors of these enzymes can prevent tumor progression.

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