On Target NK1R_HUMAN 0.39405206/CHEMBL1766208
For the given ligand DS-245, we have found in our database that, being scored 0.39405206, the most similar ligand is CHEMBL1766208. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL1766208 (Similar Ligand) |
|---|---|
| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)NCc6cc(cc(c6)C(F)(F)F)C(F)(F)F |
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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 | 00010002 418a3a08 20100100 45910650 00041221 02000010 13002400 2200100c 84400880 000948d0 08300004 4005b002 1e018812 01642801 84000440 0204000c 04001000 02000000 00200408 00020201 c0000100 38248628 20804303 93500018 00043800 c0000001 08120200 90000000 0c000100 0006002b 20144200 01012620 |