On Target CASP1_HUMAN 0.39411765/CHEMBL196571
For the given ligand STX, we have found in our database that, being scored 0.39411765, the most similar ligand is CHEMBL196571. Check out the elaboration below.
| STX (Given Ligand) | CHEMBL196571 (Similar Ligand) |
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| N=C3NC1C(COC(N)=O)NC(=N)N2CCC(O)(O)C12N3 | O=C(CN1CCCN(C(=O)N2CCOCC2)C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)N[C@H]1CC(=O)OC1O |
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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 | 00048010 00007c00 00100300 84210e00 00200080 00000000 00000804 02003008 00000000 00030960 00200000 4000b000 0e00b802 00002001 80181408 00280108 30260010 02000001 00c00050 00000201 00000100 381b8e08 13000083 0240001c 00013401 c0000000 00800000 a0000001 08000300 00060011 a0544000 00002200 |