On Target GASR_HUMAN 0.33701658/CHEMBL452991
For the given ligand vs-17, we have found in our database that, being scored 0.33701658, the most similar ligand is CHEMBL452991. Check out the elaboration below.
| vs-17 (Given Ligand) | CHEMBL452991 (Similar Ligand) |
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| COc3cc(C[C@@H]2CO[C@H](c1ccc(O)c(OC)c1)[C@]2(O)CO)ccc3O | 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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| 00000040 4b000008 2000010a 00010300 00281051 40004000 02000000 00000000 00000900 01080848 08100000 40008000 00004002 20210000 010c0005 02089008 08800000 02000000 11482000 00020201 00000120 08000020 05000040 08400010 00000400 80002000 005a0000 00000020 00000202 00020002 40000000 02000400 | 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 |