Molecule Details
InChIKeySJVNLZPBUGMURM-VEEOACQBSA-N
Compound Name(4-Benzoylamino-butyl)-[(S)-2-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-4-phenyl-butyl]-phosphinic acid
Canonical SMILESCC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)CCCCNC(=O)c1ccccc1)C(=O)Nc1ccccc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.81
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P08254 MMP3 Homo sapiens Human PF00045 PF00413 PF01471 8.2 Ki ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 7.6 pIC50 TTD_MultiTarget
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 7.6 pIC50 TTD_MultiTarget