Ligand
Ligand Name:   2-vinyl glyoxylate
Ligand Type:   non-polymer
Ligand ID:   COVPDB1442 PubChem:   162804
Synonym(s):  
  •   vinylglyoxylate
  • 2-oxobut-3-enoic acid
  • 2-oxo-3-butenoic acid
  • 56842-76-3
  • mfcd19231895
  • 3-butenoic acid, 2-oxo-
  • schembl326495
  • schembl9879051
  • 2-hydroxybuta-2,3-dienoic acid
  • chebi:74021
  • dtxsid80205379
  • akos006385680
  • sy253275
  • bb 0262458
  • q27144339
show 14 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC(=O)C(=O)C=C
Standard InChI:   InChI=1S/C4H4O3/c1-2-3(5)4(6)7/h2H,1H2,(H,6,7)
Molecular Formula:   C4H4O3 Mol. Weight:   100.016045 logP:   -0.1739
HBD:   1 HBA:   2
#Rotatable Bonds:   2 TPSA:   54.37

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Isocitrate lyase P9WKK7 (ACEA_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 5DQL VGX
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