On Target COMT_HUMAN 0.23287672/CHEMBL3954860
For the given ligand NB001, we have found in our database that, being scored 0.23287672, the most similar ligand is CHEMBL3954860. Check out the elaboration below.
| NB001 (Given Ligand) | CHEMBL3954860 (Similar Ligand) |
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| Nc1ncnc2c1ncn2CCNCCCCCO | CN1C(=O)C(=CN=C1c2ccc(Cl)c(c2)C(F)(F)F)O |
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| 0000000a 01801c00 00180000 48080620 00180040 0000c000 00008000 20000800 00600100 00000080 0020900c 40011000 00001002 01800000 00080880 100c000c 00000000 00000000 00400000 80200201 80000000 30000040 21800041 02100014 08000000 00000000 00000000 10000000 08000008 00460010 c0080000 00000ac0 | 0000c002 00000008 40100100 10010600 00080029 00004004 00801c00 00480000 06000100 100008f0 0000800c 40008802 02009004 01400001 00020080 000c000c 00000020 0200a000 00400000 00440010 00102008 18000100 21880041 00700000 00002802 c0000200 20040000 90040000 00004004 00460400 40100800 42020280 |