On Target COMT_HUMAN 0.2361809/CHEMBL3289432
For the given ligand riluzole, we have found in our database that, being scored 0.2361809, the most similar ligand is CHEMBL3289432. Check out the elaboration below.
| riluzole (Given Ligand) | CHEMBL3289432 (Similar Ligand) |
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| Nc2nc1C/C=C(OC(F)(F)F)\Cc1s2 | Cc1nc(C)c(s1)c2cc[nH]n2 |
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| 0003040a 00000000 0c100e80 00010096 09000040 00800010 20402180 0002a44b 81420000 00dc3140 01808a00 5000a000 8000c008 00200041 02422001 000c800c 10000c00 02020080 00100050 80204000 00000800 00880080 2100c800 54010010 02045000 8c000400 00600080 c0000004 1203420c 04162800 24800000 200302c0 | 00020042 00000039 20000900 10000210 21000000 08034002 00400080 1c018008 00000000 00000011 00008a00 70000200 00000010 00210001 00022006 800ca01c 02020000 06004080 00400010 80220001 01000000 01080080 21e00800 10018010 02041003 0c080000 10220a00 20001264 01200014 04021000 00000020 00010021 |