On Target NK2R_HUMAN 0.36363637/CHEMBL3545252
For the given ligand test1, we have found in our database that, being scored 0.36363637, the most similar ligand is CHEMBL3545252. Check out the elaboration below.
| test1 (Given Ligand) | CHEMBL3545252 (Similar Ligand) |
|---|---|
| CC6(C)O[C@H]1CC(=O)OC[C@]17[C@H]5CC[C@@]4(C)[C@H](c2ccoc2)OC(=O)[C@H]3O[C@]34[C@]5(C)C(=O)C[C@@H]67 | O.O.O.CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C |
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| 00050040 81200008 80080102 00014300 802c00d1 00200000 00004000 00200040 000a6900 010a0040 04180000 4008d000 54008428 02b10000 00080000 5a089008 08820020 82050100 13402000 00002001 00000020 18000a00 05000040 08080014 00000400 80004000 00080410 0a800031 60000202 0002000a 40020000 02000400 | 00050040 81c05808 82900d08 80010700 003800d0 0002c800 02000040 2a001442 00002b40 01180848 48300200 4000d001 1c028828 02890000 00040404 021a9008 18a20000 02080121 33c02818 01002001 80000120 18128f30 070080c0 0840001c 00205c00 80003402 00484000 80200020 00000300 0006000b e4060000 02800610 |