On Target CCR5_HUMAN 0.45360824/CHEMBL3219777
For the given ligand Heroin, we have found in our database that, being scored 0.45360824, the most similar ligand is CHEMBL3219777. Check out the elaboration below.
| Heroin (Given Ligand) | CHEMBL3219777 (Similar Ligand) |
|---|---|
| CC(=O)Oc1ccc2CC5C3/C=C\C(OC(C)=O)C4Oc1c2C34CCN5C | CC(C)c1nnc(C)n1C2CC3CCC(C2)N3CC[C@H](NC(=O)C4CCC(F)(F)CC4)c5ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]6CC[C@@]7(O)[C@H]8Cc9ccc(O)c%10O[C@@H]6[C@]7(CCN8CC%11CC%11)c9%10)cc5 |
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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 | 04017002 43805e08 6010150a c0210702 01181ce1 c2000016 06801000 22009241 00200980 110c19e0 083c8104 5281db40 0480c80e 23b08080 112e1469 120ca01c 18948200 a2028000 0f482000 00260201 c0100100 186ca630 33006040 8350041c 20000400 c0000201 08920224 90011081 04008306 0206c81b a0060080 20002ec0 |