On Target CAH2_HUMAN 0.3857868/CHEMBL1956757
For the given ligand STX, we have found in our database that, being scored 0.3857868, the most similar ligand is CHEMBL1956757. Check out the elaboration below.
| STX (Given Ligand) | CHEMBL1956757 (Similar Ligand) |
|---|---|
| N=C3NC1C(COC(N)=O)NC(=N)N2CCC(O)(O)C12N3 | CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
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| 00000010 01400400 00100302 04210f00 00180080 00000010 00040005 a0002000 00200600 000201e2 06200002 40038000 0100b202 02802300 00001000 00380008 30a70010 00002000 00c02040 00000201 00000100 30032c30 13000081 02100010 00010003 00080002 40000200 30000000 08000210 00040017 801a0001 00002a00 | 00000050 01c01001 01100709 80b10f10 803800c8 00000000 00002804 a8002040 80203600 010808e0 08202000 60018010 00009000 03888101 80201008 003a9008 20a70008 02020000 11c0a840 00002201 80100120 18250a14 17000080 89500018 00010402 80001002 00000200 34000068 04a00200 2006000f 00a80000 00010e28 |