On Target NK2R_HUMAN 0.32919255/CHEMBL3360201
For the given ligand ticagrelor_Y, we have found in our database that, being scored 0.32919255, the most similar ligand is CHEMBL3360201. Check out the elaboration below.
| ticagrelor_Y (Given Ligand) | CHEMBL3360201 (Similar Ligand) |
|---|---|
| CCCSc5nc(N[C@@H]1C[C@H]1c2ccc(F)c(F)c2)c4nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c4n5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)Nc3ccc(c4nonc34)[N+](=O)[O-])[C@@H](C)O)C(C)C)C(=O)N |
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| 0001400b a3000b18 e01001a0 0a192720 20380060 0000e014 04008100 10102902 00020900 118868c0 0930000c 50019900 04011024 038c1100 70420281 100ed00c 04a41080 06014088 99c00020 00362041 80120120 18340050 27805044 8dc80015 00202c02 90000200 90040208 100050b1 0e300208 0146800a c0001000 0d2186c0 | 008f4042 21007210 10100120 07910670 251402c0 02000030 00002020 2000080c 94440980 40094ae0 2c308004 5005b800 1e05800a 00543801 e59a0141 000c001c 14041000 0e000001 08e02018 40200201 61120d20 38340e30 23801383 9350001b 00041803 c00003a0 00000080 100001a3 0e008006 0046802b 60005008 2d812e40 |