Submission Details

RAF-POL-f691468c
Molecule(s):
Cc1ncc(C)c(N[C@H]2CCc3n[nH]cc3C2)n1

RAF-POL-f691468c-1

Cc1ncc(C)c(N[C@H]2CCc3n[nH]cc3C2)n1

CO[C@@H]1COC[C@H]1NC(=O)N1CCC[C@@H]1CN

RAF-POL-f691468c-2

CO[C@@H]1COC[C@H]1NC(=O)N1CCC[C@@H]1CN

Design Rationale:

These are the structures found during virtual screening of ZINC database using autodock vina with 5A flexible residues from a binding site. ZINC000567249927 - -7.2 kcal/mol ZINC000567382938 - -7.1 kcal/mol

Inspired By:
Download PDB File
Discussion:

Contributor: Rafał Madaj, Polish Academy of Sciences - Sat, 28 Mar 2020 20:52:30 +0000