On Target NK2R_HUMAN 0.42642644/CHEMBL553025
For the given ligand Heroin, we have found in our database that, being scored 0.42642644, the most similar ligand is CHEMBL553025. Check out the elaboration below.
| Heroin (Given Ligand) | CHEMBL553025 (Similar Ligand) |
|---|---|
| CC(=O)Oc1ccc2CC5C3/C=C\C(OC(C)=O)C4Oc1c2C34CCN5C | CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC |
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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 | 1001421a 8900ce08 20911d0a 50010710 201c10e1 00282050 031c6400 2b009742 00300880 011899e8 09308204 7183d340 1d02899a 09e98000 41061565 020c318e 28a68089 06000145 0fe1201a 0002a601 60320120 18209a38 2780e0c8 8b500411 00245401 e0002581 085ae200 d08050a4 06088386 00864c1e 2606f280 a2422e20 |