Ligand
Ligand Name:   3-methanoyl-2-oxidanyl-benzoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB389 PubChem:   69117
Synonym(s):  
  •   3-formyl-2-hydroxybenzoic acid
  • 3-formylsalicylic acid
  • 610-04-8
  • 2-hydroxyisophthalaldehydic acid
  • isophthalaldehydic acid, 2-hydroxy-
  • 3-formylsalicylic acid, 97
  • 2-hydroxy-3-formylbenzoic acid
  • 3-carboxy-2-hydroxybenzaldehyde
  • mfcd00143165
  • benzoic acid, 3-formyl-2-hydroxy-
  • 3-formylsalicylic acid,97
  • carboxy-2-hydroxybenzaldehyde
  • oprea1_234180
  • schembl348314
  • chebi:34334
  • yoeunkpreojhbw-uhfffaoysa-
  • dtxsid80209852
  • zinc507925
  • cs-b1702
  • nsc55753
  • nsc-55753
  • stk022975
  • akos005379096
  • mcule-4186608531
  • cs-15315
  • sy043059
  • st50824885
  • x7924
  • c14096
  • q27104284
show 29 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC(=O)c1cccc(C=O)c1O
Standard InChI:   InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)
Molecular Formula:   C8H6O4 Mol. Weight:   166.02661 logP:   0.9029
HBD:   2 HBA:   3
#Rotatable Bonds:   2 TPSA:   74.6

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Major histocompatibility complex class I-related gene protein Q95460 (HMR1_HUMAN) Homo sapiens (Human) 5U6Q 7ZS
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