Molecule Details
InChIKeyRMDCZACTUKUROI-GLDPYIMESA-N
Compound Name(2S,3R)-N'-[(2S)-1-anilino-3,3-dimethyl-1-oxobutan-2-yl]-N-hydroxy-2-methyl-3-(2-methylpropyl)-2-prop-2-enylbutanediamide
Canonical SMILESC=CC[C@](C)(C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL7.61
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 8.2 pIC50 TTD_MultiTarget
Q9ULZ9 MMP17 Homo sapiens Human PF00045 PF00413 PF01471 7.8 pIC50 TTD_MultiTarget
P03956 MMP1 Homo sapiens Human PF00045 PF00413 PF01471 7.3 IC50 ChEMBL;BindingDB
P08254 MMP3 Homo sapiens Human PF00045 PF00413 PF01471 7.0 IC50 ChEMBL;BindingDB
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 7.8 pIC50 TTD_MultiTarget