On Target NOS3_HUMAN 0.145/CHEMBL1230023
For the given ligand Aucubin, we have found in our database that, being scored 0.145, the most similar ligand is CHEMBL1230023. Check out the elaboration below.
| Aucubin (Given Ligand) | CHEMBL1230023 (Similar Ligand) |
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| OC/C2=C/[C@@H](O)[C@@H]3/C=C\O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]23 | CCC[C@H]1COc2ccsc2C(=N)N1 |
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| 00000040 81000000 00000801 80010101 80290041 00000001 00022880 28010402 00200000 015000e8 08000200 40418010 80020002 02800000 02000404 012a9008 00800004 00000000 1141e010 00008201 00100020 00001090 0500a000 08100010 00201420 80201400 00404002 a4000020 00004240 00000000 14a00000 00000000 | 04012008 01000028 2210810a 00010702 00482080 0a800100 00000080 2200561a 00000300 00980083 08200200 40008080 00000a32 000000a4 11003400 00182008 10809000 2302800c 00600000 00000209 00041040 58048080 53000000 00400010 02080000 44300000 50000400 90000005 00000318 000e0000 a6000000 00c10200 |