Covpdb









Ligand
Ligand Name:   2-MERCAPTO-PROPIONALDEHYDE
Ligand Type:   non-polymer
Ligand ID:   COVPDB1104 PubChem:   527448
Synonym(s):  
  •   3-mercaptopropanal
  • 3-sulfanylpropanal
  • 2-mercapto-propion aldehyde
  • 20291-59-2
  • beta-mercapto-propionaldehyde
  • dtxsid00335804
  • q27463432
show 6 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1234445
Canonical SMILES:   O=CCCS
Standard InChI:   InChI=1S/C3H6OS/c4-2-1-3-5/h2,5H,1,3H2
Molecular Formula:   C3H6OS Mol. Weight:   90.01394 logP:   0.5052
HBD:   1 HBA:   2
#Rotatable Bonds:   2 TPSA:   17.07

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Glutamyl-tRNA reductase Q5LAQ6 (Q5LAQ6_BACFN) Bacteroides fragilis (strain ATCC 25285 / DSM 2151 / JCM 11019 / NCTC 9343) 3D1L MPR
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