PRD_002597
概要
| 名称: | Microcolin H |
| 組成式: | C38 H65 N5 O9 |
| 化学式量: | 735.951 |
| 分子種別: | peptide-like |
| ポリマー配列: | C9T, MLE, TH5, MVA, HZP, A1IG7 |
| 非ポリマー要素: | |
| BIRDクラス: | Antitumor |
| PDB中の表現: | polymer |
| 化合物の詳細: | Microcolin H is a marine lipopeptide and phosphatidylinositol transfer protein ligand that targets PITPalpha/beta. Microcolin H increases the conversion of LC3I to LC3II and reduces p62 levels in cancer cells, leading to autophagy cell death (Autophagy). Microcolin H effectively inhibits tumor development and has anti-proliferative activity in nude mouse subcutaneous tumor models. |
| 表記: | Modified polypeptide capped either side by variable UNK residues. UNK -methylated Leucine - Acetylated Threonine - Methylated Valine - Hydroxylated proline - UNK |
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S})-3-[[(2~{S})-4-methyl-2-[methyl-[(2~{R})-2-methyloctanoyl]amino]pentanoyl]amino]-4-[methyl-[(2~{S})-3-methyl-1-[(2~{S},4~{S})-2-[(2~{S})-2-methyl-5-oxidanylidene-pyrrolidin-1-yl]carbonyl-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butan-2-yl] ethanoate |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)OC(C)=O)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N2[C@@H](C)CCC2=O |
| SMILES | CACTVS | 3.385 | CCCCCC[CH](C)C(=O)N(C)[CH](CC(C)C)C(=O)N[CH]([CH](C)OC(C)=O)C(=O)N(C)[CH](C(C)C)C(=O)N1C[CH](O)C[CH]1C(=O)N2[CH](C)CCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)OC(=O)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C[C@H](C[C@H]1C(=O)N2[C@H](CCC2=O)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC(C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(C)OC(=O)C)C(=O)N(C)C(C(C)C)C(=O)N1CC(CC1C(=O)N2C(CCC2=O)C)O |
