Molecule Details
InChIKeyZCXHDGANXIWOBA-LDAIJWBXSA-N
Compound Name(3S)-3-[[(2S)-4-amino-4-oxo-2-[4-[(4-phenoxyphenyl)sulfonylamino]butanoylamino]butanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Canonical SMILESCC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.48
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 10.1 IC50 ChEMBL
P45452 MMP13 Homo sapiens Human PF00045 PF00413 PF01471 7.7 IC50 ChEMBL
P39900 MMP12 Homo sapiens Human PF00045 PF00413 PF01471 7.7 IC50 ChEMBL