On Target NK1R_HUMAN 0.3502825/CHEMBL478392
For the given ligand HU-580, we have found in our database that, being scored 0.3502825, the most similar ligand is CHEMBL478392. Check out the elaboration below.
| HU-580 (Given Ligand) | CHEMBL478392 (Similar Ligand) |
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| C=C(C)[C@@H]1CC/C(C)=C\[C@H]1c2c(O)cc(CCCCC)c(C(=O)OC)c2O | COc1cc2CCO[C@](C)(c2cc1CN[C@H]3CCCN[C@H]3c4ccccc4)C(F)(F)F |
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| 00000001 43000808 20000103 00010202 00010001 4082c400 02000001 00000e02 00040900 00980a42 28100000 40408840 00028022 00210000 00000420 0a082008 00020800 02100020 00202000 40020a01 00400500 08020a60 0100c000 00400014 00200000 80002201 04424200 80000000 00000203 00024002 e4020004 00010400 | 00000000 43000008 2010050a 04010600 00001051 00004120 12040004 22001441 00200980 401908c0 48300000 50038800 80000802 20212000 01040401 02082008 08000000 02000000 04082402 40220201 00010120 38208030 01004001 83500010 00000400 c0002201 085a0000 90000000 0c000303 00060802 64040004 02000600 |