Extended Data Table 2 The highest-affinity direct docking hits for the D4 receptor

From: Ultra-large library docking for discovering new chemotypes

  1. The 36 highest-affinity hits are shown. See Supplementary Table 4 for all 549 compounds tested. See Supplementary Table 6 for novelty.
  2. ∗Cluster rank, position in cluster head (see Methods) list sorted by DOCK score.
  3. †Tc, Tanimoto coefficient to dopaminergic, serotonergic or adrenergic ligands from ChEMBL.
  4. ‡ND, not determined. The compound was tested but no measurable value was observed.
  5. §NT, not tested.
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