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/ZINC000095483532.sdf | |
| parent | 9e9117e74477b548ba0885d7bfd7e187a12b404c (diff) | |
Added ligands, targets and results
Diffstat (limited to 'Docking/Ligands/ZINC000095483532.sdf')
| -rwxr-xr-x | Docking/Ligands/ZINC000095483532.sdf | 45 |
1 files changed, 45 insertions, 0 deletions
diff --git a/Docking/Ligands/ZINC000095483532.sdf b/Docking/Ligands/ZINC000095483532.sdf new file mode 100755 index 0000000..4116013 --- /dev/null +++ b/Docking/Ligands/ZINC000095483532.sdf @@ -0,0 +1,45 @@ + + RDKit 3D + + 16 17 0 0 0 0 0 0 0 0999 V2000 + -4.6362 -1.2153 0.8099 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6740 -0.3655 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9599 -0.7470 -0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6385 -0.3301 -1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1800 0.6916 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.1843 0.8581 0.1472 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1441 0.7825 -0.6632 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.3592 0.0741 -0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2941 0.5038 0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3283 -0.3731 0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3703 -1.6497 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2981 -2.1239 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4922 -1.1581 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1813 1.4508 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8278 2.7352 0.9261 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3729 0.8666 0.6765 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 + 2 3 2 0 + 3 4 1 0 + 4 5 2 0 + 5 6 1 0 + 6 7 2 0 + 7 8 1 0 + 8 9 2 0 + 9 10 1 0 + 10 11 2 0 + 11 12 1 0 + 12 13 2 0 + 5 14 1 0 + 14 15 1 0 + 14 16 2 0 + 16 2 1 0 + 13 8 1 0 +M END +> <zinc_id> (1) +ZINC000095483532 + +> <smiles> (1) +Nc1ccc(/N=N/c2ccccc2)c(N)n1 + +$$$$ |