On Target BKRB2_HUMAN 0.35403726/CHEMBL2392354
For the given ligand Captagon, we have found in our database that, being scored 0.35403726, the most similar ligand is CHEMBL2392354. Check out the elaboration below.
| Captagon (Given Ligand) | CHEMBL2392354 (Similar Ligand) |
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| CC(Cc1ccccc1)NCCn2cnc3c2c(=O)n(C)c(=O)n3C | N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc4ccccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
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| 0000002a 00801c00 00180100 42010700 00180040 0000c080 00008000 00000000 06600980 800808e0 0c30900c 40008000 00009002 01400000 00280880 000c000c 00800000 02088000 00400000 00000201 80000100 38200040 21800041 83700014 00040000 c0200000 60000000 00040000 0c004000 00460012 c0080000 00000e80 | 00050000 01007200 00100100 04010e00 00180080 00000010 00000000 2000200c 00200a80 000808c2 08300000 4003b000 16009012 01002003 80180000 001c0008 10000000 02000000 00c00008 00000201 00000100 38350e20 03000083 83500018 00000801 80000000 40000000 10000000 0c000010 0006000b a0084000 00002e00 |