On Target GASR_HUMAN 0.5330396/CHEMBL452991
For the given ligand Heroin, we have found in our database that, being scored 0.5330396, the most similar ligand is CHEMBL452991. Check out the elaboration below.
| Heroin (Given Ligand) | CHEMBL452991 (Similar Ligand) |
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| CC(=O)Oc1ccc2CC5C3/C=C\C(OC(C)=O)C4Oc1c2C34CCN5C | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5O[C@@H]1[C@]2(CCN3C)c45 |
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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 | 04003001 43005208 2010050a 80010702 001810e0 c2000002 42001000 20008241 00200880 010818c0 08300000 5083c340 00808002 22a00080 112c1029 120c2018 18800200 a2028000 07482000 00020a01 00000100 18240630 13004040 8350041c 20000400 c0000001 00920200 10000001 04010302 0006c80b 00020000 00002e00 |