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(a) A pharmacophore query derived from the kinase inhibitor of PDB 3K5U. A hydrogen acceptor (A, orange), two hydrophobic (B/C, green) and a hydrogen donor (D, white) feature were extracted by analyzing the crystal structure. Each feature is given a tolerance radius of 1.0Å. (b) The convex hull of the set of possible lengths for triangle ABC inscribed in its bounding box (lengths ± 2.0Å).
