Covpdb









Ligand
Ligand Name:   Soman
Ligand Type:   non-polymer
Ligand ID:   COVPDB851 PubChem:   12442896
Synonym(s):  
  •   soman (rpsc)
  • unii-gu27698028
  • gu27698028
  • i(s),p(r)-soman
  • c(+)p(-)-soman
  • (r-(r*,s*))-methylphosphonofluoridic acid 1,2,2-trimethylpropyl ester
  • phosphonofluoridic acid, methyl-, 1,2,2-trimethylpropyl ester, (r-(r*,s*))- (9ci)
  • 24753-15-9
  • q27279280
  • unii-3of3wxb67q component grxklbbbqukjjz-kgfzykrksa-n
  • phosphonofluoridic acid, methyl-, 1,2,2-trimethylpropyl ester, stereoisomer
show 10 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)(C)[C@H](C)O[P@@](F)(=O)C
Standard InChI:   InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3/t6-,11-/m0/s1
Molecular Formula:   C7H16FO2P Mol. Weight:   182.08719 logP:   3.23
HBD:   0 HBA:   2
#Rotatable Bonds:   2 TPSA:   26.3

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Acetylcholinesterase P04058 (ACES_TETCF) Tetronarce californica (Pacific electric ray) (Torpedo californica) 2WG2 GD8
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-
SHOW
Acetylcholinesterase P04058 (ACES_TETCF) Tetronarce californica (Pacific electric ray) (Torpedo californica) 2WFZ GD8
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SHOW
Platelet-activating factor acetylhydrolase IB subunit alpha1 Q29460 (PA1B3_BOVIN) Bos taurus (Bovine) 3DT9 GD7
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SHOW
Platelet-activating factor acetylhydrolase Q13093 (PAFA_HUMAN) Homo sapiens (Human) 3F97 GD7
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SHOW