Molecule Details
| InChIKey | QTDDOYSPIKOADE-BSUCQFSCSA-N |
|---|---|
| Compound Name | (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,5S,8S,11S,14S,17S,26S,29S,32S)-32-(4-aminobutyl)-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-14-(2-amino-2-oxoethyl)-29-[(2S)-butan-2-yl]-2-(3-carbamimidamidopropyl)-8-[(4-hydroxyphenyl)methyl]-5-(1H-imidazol-5-ylmethyl)-11-(2-methylpropyl)-3,6,9,12,15,23,27,30,33,40-decaoxo-1,4,7,10,13,16,22,28,31,34-decazacyclotetracontane-17-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| Canonical SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.43 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile