diff options
| author | Navan Chauhan <navanchauhan@gmail.com> | 2020-03-13 19:05:29 +0530 |
|---|---|---|
| committer | Navan Chauhan <navanchauhan@gmail.com> | 2020-03-13 19:05:29 +0530 |
| commit | 2bdd550c67324666e6948b3a2daa2a7f45e1cafa (patch) | |
| tree | cb0a71e275ea6169f75e425804477d1be892f0e8 /Docking/Ligands/ZINC000001530688.sdf | |
| parent | 9e9117e74477b548ba0885d7bfd7e187a12b404c (diff) | |
Added ligands, targets and results
Diffstat (limited to 'Docking/Ligands/ZINC000001530688.sdf')
| -rwxr-xr-x | Docking/Ligands/ZINC000001530688.sdf | 57 |
1 files changed, 57 insertions, 0 deletions
diff --git a/Docking/Ligands/ZINC000001530688.sdf b/Docking/Ligands/ZINC000001530688.sdf new file mode 100755 index 0000000..0eac047 --- /dev/null +++ b/Docking/Ligands/ZINC000001530688.sdf @@ -0,0 +1,57 @@ + + RDKit 3D + + 21 24 0 0 0 0 0 0 0 0999 V2000 + 5.5867 -0.6419 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3959 -0.2002 0.9728 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2845 -0.9564 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6582 -0.0497 -0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3756 -0.6404 -1.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2685 -0.2307 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7049 -0.1431 1.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.4763 0.1650 2.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7349 0.4758 1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9896 -0.7523 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0446 -1.5954 0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9266 -2.8887 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8964 -3.2591 -0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8764 -2.3604 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8796 -1.1918 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3189 1.5221 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.4664 2.8773 0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9279 3.7208 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.4333 3.1856 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0110 1.8681 -1.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3143 1.0955 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 + 2 3 1 0 + 3 4 1 0 + 4 5 1 0 + 5 6 1 0 + 6 7 1 0 + 7 8 1 0 + 8 9 1 0 + 9 10 1 0 + 10 11 2 0 + 11 12 1 0 + 12 13 2 0 + 13 14 1 0 + 14 15 2 0 + 9 16 1 0 + 16 17 2 0 + 17 18 1 0 + 18 19 2 0 + 19 20 1 0 + 20 21 2 0 + 15 6 1 0 + 21 16 1 0 + 21 6 1 0 + 15 10 1 0 +M END +> <zinc_id> (1) +ZINC000001530688 + +> <smiles> (1) +CNCCCC12CCC(c3ccccc31)c1ccccc12 + +$$$$ |