Molecule Details
| InChIKey | NYBROGHBIFFJKW-DZAYMDIMSA-N |
|---|---|
| Compound Name | 3-[(4S,7R,13R,16S)-13-benzyl-7-(carbamoylmethyl)-4-{[(2R)-2-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-4-[(diaminomethylidene)amino]butyl]carbamoyl}pyrrolidin-1-yl]carbonyl}-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-10-yl]propanoic acid |
| Canonical SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CCC(=O)O)C(=O)N[C@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.45 |
| Source | BindingDB |
2D Structure
Activity Profile