On Target TNFA_HUMAN 0.3108108/CHEMBL4299667
For the given ligand STX, we have found in our database that, being scored 0.3108108, the most similar ligand is CHEMBL4299667. Check out the elaboration below.
| STX (Given Ligand) | CHEMBL4299667 (Similar Ligand) |
|---|---|
| N=C3NC1C(COC(N)=O)NC(=N)N2CCC(O)(O)C12N3 | CC[C@H](C)[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCSC)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@H](C)CC |
|
|
|
|
|
|
| 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 | 00070002 01007e00 00100100 45910e50 003c1280 02000000 00002000 2000200c 84600a80 000b49c2 08300004 4007b000 1e01983a 01442801 84180040 001c000c 14001000 02000001 00e02418 00000201 40000100 383d8e38 23800383 93500018 00043801 80000000 48000200 10000000 0c000012 0006003b a00c4200 01812e20 |