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Details for Substrate BDBM209594 without Explicit Binding Affinity Data
Binding Enzyme 1: Autotaxin
Synonyms:  US9273011, FS-3 Lysophosphodiesterase (lysoPLD)
Type: Substrate
Emp. Form.: C57H67N6O19P
Mol. Mass.: 1171.1444 g/mol
SMILES: CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)C(=O)NCCCCCC(=O)O[C@H](O)COP(O)(=O)OCCNC(=O)CCOCCOCCOCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wD:28.30,(36.32,-40.53,;35.23,-39.44,;33.75,-39.84,;35.63,-37.95,;34.54,-36.86,;34.94,-35.37,;36.43,-34.97,;37.52,-36.06,;37.12,-37.55,;36.83,-33.49,;35.74,-32.4,;35.74,-30.86,;34.41,-30.09,;34.41,-28.55,;35.74,-27.78,;37.07,-28.55,;37.07,-30.09,;35.34,-26.29,;36.43,-25.2,;33.85,-25.89,;33.45,-24.4,;31.97,-24.01,;31.57,-22.52,;30.08,-22.12,;29.68,-20.63,;28.2,-20.23,;27.11,-21.32,;27.8,-18.75,;27,-17.95,;25.51,-18.35,;27.4,-16.46,;25.91,-16.86,;24.42,-16.46,;25.19,-15.13,;23.33,-17.55,;24.02,-14.97,;22.54,-14.57,;22.14,-13.09,;20.65,-12.69,;20.25,-11.2,;21.34,-10.11,;18.76,-10.8,;18.37,-9.32,;16.88,-8.92,;16.48,-7.43,;14.99,-7.03,;14.59,-5.54,;13.11,-5.14,;12.71,-3.66,;11.22,-3.26,;10.45,-1.92,;8.91,-1.92,;8.14,-.59,;6.6,-.59,;5.83,.74,;4.29,.74,;3.52,2.08,;4.29,3.41,;1.98,2.08,;1.21,.74,;-.33,.74,;-1.1,2.08,;-.33,3.41,;1.21,3.41,;-.33,4.95,;1,5.72,;-1.42,6.04,;-2.64,2.08,;-3.41,.74,;-2.64,-.59,;-3.41,-1.92,;-4.95,-1.92,;-5.72,-3.26,;-5.72,-.59,;-4.95,.74,;-5.72,2.08,;-4.95,3.41,;-5.72,4.74,;-4.95,6.08,;-5.72,7.41,;-3.41,6.08,;-2.64,4.74,;-3.41,3.41,)|
Structure:  Courtesy of Chemaxon Inc.
  
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