On Target CXCR3_HUMAN 0.43378997/CHEMBL3697086
For the given ligand Heroin, we have found in our database that, being scored 0.43378997, the most similar ligand is CHEMBL3697086. Check out the elaboration below.
| Heroin (Given Ligand) | CHEMBL3697086 (Similar Ligand) |
|---|---|
| CC(=O)Oc1ccc2CC5C3/C=C\C(OC(C)=O)C4Oc1c2C34CCN5C | COc1cc(CN(C[C@@H]2CC[C@H](CC2)C(=O)O)C(C)c3ccc4OCCc4c3)ccc1C5CC5CN6C(=O)CCC6=O |
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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 | 04031000 45001208 2010010a 00010600 00081041 02000010 12040000 22001240 00100900 000808c0 08300000 40019840 8480880a 01a00000 01040401 000c2018 08002000 02000000 06482400 00020201 00020100 18048e10 01000000 00548418 00000000 c0000000 08320000 90800004 00000302 0006c00b 20060000 00802600 |