Attributes
UniProt ID
Protein Name
Caspase-3
Ligand Name
5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IQHLJYZLDAEITK-BKSPAHHJSA-N
SMILES
CC(C)C(C(=O)NC(CC(=O)O)C(CSCc1ccccc1)O)NC(=O)Cc2cc(ccc2OC)Br
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 1RHQ
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Color Legend
Unassigned regionsLigand / hetero atomse1rhq.1e1rhq.2