Ligand
Ligand Name:   5-CHLORO-4-OXOPENTANOIC ACID
Ligand Type:   non-polymer
Ligand ID:   COVPDB1397 PubChem:   25240959
Synonym(s):  
  •   5-chloro-4-oxopentanoate
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)CCC(=O)[O-]
Standard InChI:   InChI=1S/C5H7ClO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)/p-1
Molecular Formula:   C5H6ClO3- Mol. Weight:   149.0011 logP:   -0.6756
HBD:   0 HBA:   3
#Rotatable Bonds:   4 TPSA:   57.2

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Caspase-3 P42574 (CASP3_HUMAN) Homo sapiens (Human) 2XYH TQ9
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