Fig. 6. (A) The predicted binding mode of AZ5576 (green) and CDK9 (pink, PDB: 4BCF). (B) The crystal structure of AZD4573 (green) bound to CDK9 (pink, PDB: 6Z45). (C) The predicted binding mode of JSH-150 (green) and CDK9 (pink, PDB: 4BCG). (D) The predicted binding mode of FIT-039 (green) and CDK9 (pink, PDB: 3BLQ). The hydrogen bonds are depicted by red dotted lines.