| HSPMdb Accession No | HSPMDB001762 |
| PMID | 24022489 |
| Target | Hsp100 |
| HSP Name | ClpC1 |
| Organism | Bacteria |
| Localization | Cytosol |
| Enzymatic activity | Binding affinity |
| Compound Name | CymA1 |
| IUPAC Name | (3S,6S,9S,12S,15S,18S,21S)-3-[(R)-[1-[(3S)-4-(3-aminopropylamino)-3-hydroxy-2-methylbutan-2-yl]indol-3-yl]-hydroxymethyl]-21-[(2R)-3-hydroxy-2-methylpropyl]-15-[(R)-methoxy(phenyl)methyl]-1,10,18-trimethyl-6-[(2R)-4-methylpent-3-en-2-yl]-9-(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone |
| SMILES | CC1C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N1)CC(C)CO)C)C(C2=CN(C3=CC=CC=C32)C(C)(C)C(CNCCCN)O)O)C(C)C=C(C)C)CC(C)C)C)C(C)C)C(C4=CC=CC=C4)OC |
| Class | Cyclomarine A (CymA) derivative |
| Kd (µM) | 0.012 |
| Type of Enzymatic Assay | Isothermal titration calorimetry (ITC) |
| Disease | Tuberculosis |
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