On Target CXCR4_HUMAN 0.2962963/CHEMBL3923006
For the given ligand ticagrelor_Y, we have found in our database that, being scored 0.2962963, the most similar ligand is CHEMBL3923006. Check out the elaboration below.
| ticagrelor_Y (Given Ligand) | CHEMBL3923006 (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 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]5CSSC[C@H](NC(=O)[C@H](Cc6ccc7ccccc7c6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc8ccc(O)cc8)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N9CCC[C@H]9C(=O)N[C@@H](Cc%10ccc(O)cc%10)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N5)C(=O)O |
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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 | 00010000 81007a18 60100100 c4110f00 000c0080 00200110 02000000 2100204c 00202b80 020f08c2 08300000 4003b800 1600901e 008c2001 80181008 001f8008 10200000 02000000 00c02008 004e2301 40000160 38270e38 17000683 8f50001c 00000c01 a0800000 40920400 50000021 0c000290 0006802b a0084000 03412600 |