On Target TF65_HUMAN 0.31730768/CHEMBL5434230
For the given ligand Tofacitinib, we have found in our database that, being scored 0.31730768, the most similar ligand is CHEMBL5434230. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL5434230 (Similar Ligand) |
|---|---|
| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O |
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| 00014006 01803800 00180020 0c080600 20080000 00086000 00008000 20100808 00200100 00000280 00200004 50031000 04008802 00002000 00020000 101c0004 00440000 00004008 08600000 00200205 40100000 3a048660 60804441 0210001e 00000000 80000000 00008000 10000080 08000018 004e0001 c0001200 000026c0 | 04070002 01007a08 20100100 45810610 041c12c0 00000000 02002020 2000000c 00600980 000b0ac0 28308004 5003b800 1e008832 01502801 811a0040 000c000c 10000000 0e000000 00e00418 40020201 60000d00 38248e28 238000c3 93500018 00043801 80000200 08120000 10000100 0c000006 0046000b 60044200 20802e20 |