diff options
Diffstat (limited to 'Docking/Ligands/ZINC000000020246.sdf')
| -rwxr-xr-x | Docking/Ligands/ZINC000000020246.sdf | 60 |
1 files changed, 60 insertions, 0 deletions
diff --git a/Docking/Ligands/ZINC000000020246.sdf b/Docking/Ligands/ZINC000000020246.sdf new file mode 100755 index 0000000..afbb582 --- /dev/null +++ b/Docking/Ligands/ZINC000000020246.sdf @@ -0,0 +1,60 @@ + + RDKit 3D + + 23 25 0 0 0 0 0 0 0 0999 V2000 + -2.4422 -4.5584 -1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1329 -3.9451 -1.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8712 -2.8709 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8993 -2.4999 0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1182 -1.1745 0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2749 -0.2227 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1218 -0.5597 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9356 -1.9014 -0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.0550 0.3599 -0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2125 -0.0965 -0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0440 -0.7310 0.5415 C 0 0 2 0 0 0 0 0 0 0 0 0 + 1.3298 0.2416 1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2775 0.3499 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4302 -0.4394 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1543 -1.4623 -0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1393 -0.8904 1.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.2257 1.7808 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8169 2.6234 -0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7806 3.9885 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3254 4.4892 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.4460 3.6773 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.4425 2.4096 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8944 1.4319 0.1684 S 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 + 2 3 1 0 + 3 4 2 0 + 4 5 1 0 + 5 6 2 0 + 6 7 1 0 + 7 8 2 0 + 7 9 1 0 + 9 10 1 0 + 11 10 1 6 + 11 12 1 0 + 11 13 1 0 + 13 14 1 0 + 14 15 1 0 + 14 16 1 0 + 9 17 1 0 + 17 18 2 0 + 18 19 1 0 + 19 20 2 0 + 20 21 1 0 + 21 22 2 0 + 22 23 1 0 + 8 3 1 0 + 22 17 1 0 + 23 6 1 0 +M END +> <zinc_id> (1) +ZINC000000020246 + +> <smiles> (1) +COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 + +$$$$ |