On Target GASR_HUMAN 0.21559633/CHEMBL452991
For the given ligand Y-1, we have found in our database that, being scored 0.21559633, the most similar ligand is CHEMBL452991. Check out the elaboration below.
| Y-1 (Given Ligand) | CHEMBL452991 (Similar Ligand) |
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| O=c1ccocc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O | 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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| 0c000000 01200008 20080008 01010300 803d104c 82000800 00042800 00000000 02224000 01000060 40000080 40008000 40808400 02800088 11200000 002ab008 00800000 00000000 1148a000 00025003 00140020 08000400 05000000 0a180010 00400400 00000000 00000010 2c900020 01002200 01820201 01e00000 00b50000 | 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 |