Molecule Details
| InChIKey | IQNLJVSLHOBMFI-PRDCUKRZSA-N |
|---|---|
| Compound Name | (2S)-2-{[(4R,7S,10S,13R,16S,19S)-19-amino-16-benzyl-7-[(4-hydroxy-3-iodophenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-10-({4-[(propan-2-ylamino)methyl]phenyl}methyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-(naphthalen-2-yl)propanamide |
| Canonical SMILES | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.57 |
| Source | BindingDB |
2D Structure
Activity Profile