Figure 5: Stereo view of best novel hit (ZINC03363328) docked at CAIX active site. The active site residues Asn-62, Glu-106, His-94, Thr-200 and Zn+2 are involved in polar interaction. Val-121, Val-143, Leu-91, Leu-135 and Trp-209 are involved in hydrophobic interaction with methylpiperazine of ZINC03363328. The quinazoline and azepane ring are precisely fitted in upper hydrophobic domain of CAIX active site, composed with Leu-141, Pro-201,202 and Trp-5, Tyr-209 and Phe-245.