On Target BKRB2_HUMAN 0.22222222/CHEMBL406291
For the given ligand D9-1, we have found in our database that, being scored 0.22222222, the most similar ligand is CHEMBL406291. Check out the elaboration below.
| D9-1 (Given Ligand) | CHEMBL406291 (Similar Ligand) |
|---|---|
| CC(C)Cc1ncc(CCCNC(=N)N)[nH]c1=O | N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
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| 0000002a 00002000 00100400 10800c10 00000242 00000000 0000a824 00002008 16400a00 000800b2 08208000 40000000 00009080 02000800 00820000 00140004 08000000 06000000 00000408 00000001 24020080 10018000 21000000 00200010 00040000 40000000 48000000 10000104 00000014 00860808 80280000 20000200 | 00010000 01007200 00100100 04010e00 00080080 00000010 00000000 2000200c 00200a80 000808c2 08300000 4003b000 16009012 01002001 80180000 001c0008 10000000 02000000 00c00008 00000201 00000100 38250e20 03000083 83500018 00000801 80000000 40000000 10000000 0c000010 0006000b a0084000 00002600 |