Molecule Details
InChIKeySXHHMPCBHMVLQW-UFEMVYOUSA-N
Compound Name(4S)-5-[[(2S)-1-[[(E,2S)-1-carboxy-4-methylsulfonylbut-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid
Canonical SMILESCC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.13
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P42574 CASP3 Homo sapiens Human PF00656 7.7 IC50 ChEMBL;BindingDB
P55210 CASP7 Homo sapiens Human PF00656 7.4 IC50 ChEMBL;BindingDB
P55211 CASP9 Homo sapiens Human PF00619 PF00656 6.3 IC50 ChEMBL;BindingDB