On Target TNFA_HUMAN 0.35314685/CHEMBL3806135
For the given ligand DS-245, we have found in our database that, being scored 0.35314685, the most similar ligand is CHEMBL3806135. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL3806135 (Similar Ligand) |
|---|---|
| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O |
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| 0002800a 09003900 02100902 15910e54 18000100 02120022 074030a0 2a01f00f 84400800 004948d8 00218a00 d004b820 060188d6 08243c21 84422400 00040304 04009200 060000a6 00202018 80004a41 44101800 f88f8780 20004309 52c1001c 02143000 cc010401 00200a00 90003184 080a0304 04861825 a8044080 21032210 | 00030002 01007a08 20100100 45910e50 001c1280 02000000 02002000 2000200c 84600a80 000b48c2 08300004 4007b000 1e01983a 01442801 84180040 001c000c 14001000 02000000 00e02408 00020201 40000100 38258e38 23800383 93500018 00043801 80000000 48120200 10000000 0c000010 0006002b a00c4200 01812e20 |