On Target COMT_HUMAN 0.14414415/CHEMBL1091981
For the given ligand (-)-TAN-2483B, we have found in our database that, being scored 0.14414415, the most similar ligand is CHEMBL1091981. Check out the elaboration below.
| (-)-TAN-2483B (Given Ligand) | CHEMBL1091981 (Similar Ligand) |
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| [H][C@@]2(C)OC(=O)/C1=C/[C@@H](O)[C@@H](/C=C/C)O[C@@]12[H] | CCCC(=O)OC(C)OC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+](=O)[O-] |
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| 00050040 01000000 00000d08 00010200 000d0040 00200800 02000280 28000442 01002000 01100000 40000200 40409001 1c028000 00000000 00080004 000a8008 00020000 00000000 21410010 00008001 20000020 10001a80 0500a000 08000010 00201400 00001400 00402000 80000020 00000202 00000000 04000000 00000010 | 02018042 95000818 20012100 21010b04 08480050 01804002 12082880 08016000 14200100 00801860 04000204 40019888 06018236 03010006 209029c0 0628d018 01031000 030c0068 40408000 02820611 40023020 48030ba8 21100080 10401014 02002502 c4002200 40180000 a4008c84 00400200 00060800 c0240000 0cc30400 |