On Target BKRB2_HUMAN 0.28089887/CHEMBL2105864
For the given ligand Heroin, we have found in our database that, being scored 0.28089887, the most similar ligand is CHEMBL2105864. Check out the elaboration below.
| Heroin (Given Ligand) | CHEMBL2105864 (Similar Ligand) |
|---|---|
| CC(=O)Oc1ccc2CC5C3/C=C\C(OC(C)=O)C4Oc1c2C34CCN5C | COc1ccc(C[C@@H](CN[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@@H]5CCCN5C(=O)[C@@H](N)CCCN=C(N)N)cc1 |
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| 04001000 cb000208 20100d0a 80310700 00181061 c2000802 020c1000 38000643 00002890 001818ca 48300300 51818040 0082c202 21a00080 11250425 020cb018 08820200 22008060 24492012 0002a201 00000120 18200a10 1500e040 89540410 02201400 c0002401 04524200 90800024 04000302 0007cc0a 24020000 10812f50 | 00050000 01007208 20100108 04010e00 00181082 00000010 02050080 2000000c 00200880 004808c2 08300210 c003b080 1600a012 0100200b 83182001 100c4008 10000802 02000008 00c04008 00020205 00000900 783c0ea0 03000083 83500018 02402801 86000004 40130000 10000204 0c000200 0006000b 38004000 00c12e10 |