On Target CASP1_HUMAN 0.47933885/CHEMBL1221646
For the given ligand NB001, we have found in our database that, being scored 0.47933885, the most similar ligand is CHEMBL1221646. Check out the elaboration below.
| NB001 (Given Ligand) | CHEMBL1221646 (Similar Ligand) |
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| Nc1ncnc2c1ncn2CCNCCCCCO | CC(C)[C@H](CC(=O)NCCn1cnc2ccccc12)C(=O)N[C@@H](CC(=O)O)C=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 | 00070002 01003400 00100000 40000600 001c0040 00004000 00000000 20000000 00200100 000008c0 0120900c 4003b000 0e009002 01400000 800008c0 000c000c 00000000 00000001 00e00010 00000201 c0000000 38100e30 21800081 02100018 08001001 00000000 00400000 10000000 08000002 00460011 60084000 00802a80 |