Ligand
Ligand Name:   ASPARTATE SEMIALDEHYDE
Ligand Type:   D-peptide linking
Ligand ID:   COVPDB506 PubChem:   49866644
Synonym(s):  
  •   (2r)-2-amino-4-oxobutanoic acid
  • schembl10067852
  • (r)-2-amino-4-oxobutyric acid
  • zinc3870023
  • db04498
  • q27457956
show 5 synonym(s)
DrugBank:   DB04498 ChEMBL:   CHEMBL1231059
Canonical SMILES:   N[C@H](CC=O)C(O)=O
Standard InChI:   InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1
Molecular Formula:   C4H7NO3 Mol. Weight:   117.042595 logP:   -1.0127
HBD:   2 HBA:   3
#Rotatable Bonds:   3 TPSA:   80.39

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Aspartate-semialdehyde dehydrogenase A0A0H2UPS5 (A0A0H2UPS5_STRPN) Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) 2GZ3 AS2
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