On Target CXCR4_HUMAN 0.25888324/CHEMBL1221944
For the given ligand TCA, we have found in our database that, being scored 0.25888324, the most similar ligand is CHEMBL1221944. Check out the elaboration below.
| TCA (Given Ligand) | CHEMBL1221944 (Similar Ligand) |
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| C=C(C)C1C/C=C(C)\C(OC(C)=O)C1 | CC(=O)O[C@@H](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)(OCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C |
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| 00000000 81000000 00000100 80010300 00190000 00000800 02000000 08000402 00000000 00100008 40000000 40408000 00028000 00000000 00000400 00081008 00820000 00000020 20402010 00000001 00000020 00000a00 01008000 00000010 00201400 00000400 00404200 80000000 00000200 00000002 24020000 00800010 | 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 |