Molecule Details
| InChIKey | SQKBSPJLGLPLAW-LPHOTGGXSA-N |
|---|---|
| Compound Name | benzyl N-[(2S)-1-[[(2S)-5-amino-1-[[(2S,3S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[2-[2-[2-[4-[[[(2S)-6-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[3-[(2R)-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl]propanoylamino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[5-amino-2-[[(2S)-2-[3-[(2R)-3',3'-dimethyl-6-nitrospiro[3,4-dihydrochromene-2,2'-indole]-1'-yl]propanoylamino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethylcarbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-1,5-dioxopentan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate |
| Canonical SMILES | CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCOCCOCCn1cc(CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]23C=Cc2cc([N+](=O)[O-])ccc2O3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]23CCc2cc([N+](=O)[O-])ccc2O3)nn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.22 |
| Source | ChEMBL |
2D Structure
Activity Profile