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. 2022 Oct 31;44(11):5312–5351. doi: 10.3390/cimb44110361

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© 2022 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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(A) Molecular docking-generated binding orientations of standard compound (sunitinib) and the proposed pyrazole-based inhibitor compound M74 in complex with c-KIT (6XVB) protein; (B) close-up binding interaction view exhibiting similar binding pattern of all the compounds at the active site cavity of c-KIT (6XVB) protein; (C) binding mode of pyrazole compound M74 in the active site cavity of c-KIT (6XVB) displayed in surface view; (D) molecular binding interaction and orientation of compound M74 with c-KIT (6XVB) protein; (E) binding mode of standard compound (sunitinib) in the active site cavity of c-KIT (6XVB) displayed in surface view; (F) molecular binding interaction and orientation of sunitinib with c-KIT (6XVB) protein.

(A) Molecular docking-generated binding orientations of standard compound (sunitinib) and the proposed pyrazole-based inhibitor compound M74 in complex with c-KIT (6XVB) protein; (B) close-up binding interaction view exhibiting similar binding pattern of all the compounds at the active site cavity of c-KIT (6XVB) protein; (C) binding mode of pyrazole compound M74 in the active site cavity of c-KIT (6XVB) displayed in surface view; (D) molecular binding interaction and orientation of compound M74 with c-KIT (6XVB) protein; (E) binding mode of standard compound (sunitinib) in the active site cavity of c-KIT (6XVB) displayed in surface view; (F) molecular binding interaction and orientation of sunitinib with c-KIT (6XVB) protein.