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Details for Substrate BDBM3158 without Explicit Binding Affinity Data
Binding Enzyme 1: 3-oxoacyl-[acyl-carrier-protein] synthase 3
Synonyms:  2-{[2,6-dihydroxy-4-({[(4S)-3-[(4-hydroxybenzene)amido]-1-azabicyclo[3.2.2]nonan-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid | Balanol analog 24
Type: Small organic molecule
Emp. Form.: C30H28N2O10
Mol. Mass.: 576.5507 g/mol
SMILES: OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:27.28,(10.28,-8.36,;9.72,-9.8,;10.68,-11,;8.2,-10.03,;7.63,-11.46,;6.11,-11.69,;5.15,-10.49,;5.71,-9.05,;4.23,-8.64,;7.24,-8.82,;7.8,-7.39,;9.32,-7.16,;6.84,-6.18,;5.32,-6.41,;4.75,-7.85,;4.36,-5.21,;4.92,-3.78,;6.44,-3.55,;7.4,-4.75,;8.92,-4.52,;3.96,-2.57,;2.44,-2.8,;4.52,-1.14,;3.56,.06,;2.06,-.28,;.86,.68,;.86,2.22,;2.06,3.18,;2.35,2.03,;2.35,.88,;3.56,2.84,;4.23,1.45,;5.77,1.45,;6.54,2.79,;5.77,4.12,;8.08,2.79,;8.85,4.12,;10.39,4.12,;11.16,2.79,;12.7,2.79,;10.39,1.45,;8.85,1.45,)|
Structure:  Courtesy of Chemaxon Inc.
  
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