On Target CXCR4_HUMAN 0.21544716/CHEMBL1221944
For the given ligand Y-1, we have found in our database that, being scored 0.21544716, the most similar ligand is CHEMBL1221944. Check out the elaboration below.
| Y-1 (Given Ligand) | CHEMBL1221944 (Similar Ligand) |
|---|---|
| O=c1ccocc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O | C[C@H](OC(=O)C)\C=C/C(=O)N[C@@H]1C[C@H](C)[C@H](C\C=C(/C)\C=C\[C@H]2O[C@@](C)(C[C@@]3(CO3)[C@@H]2O)OCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)O[C@@H]1C |
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| 0c000000 01200008 20080008 01010300 803d104c 82000800 00042800 00000000 02224000 01000060 40000080 40008000 40808400 02800088 11200000 002ab008 00800000 00000000 1148a000 00025003 00140020 08000400 05000000 0a180010 00400400 00000000 00000010 2c900020 01002200 01820201 01e00000 00b50000 | 00050050 c704f000 20100800 80910f40 c03801c0 00800801 02103804 28002402 05200000 031040e8 40200200 c0079000 0403910e 02870100 0008140c 0028900c 34821040 00002100 3141a0f0 0000a301 c0102120 30051e90 1740a300 0830001a 10211400 00008c00 00c84200 b4000021 08000242 00040021 24aa0000 07812a10 |