On Target MMP8_HUMAN 0.4408602/CHEMBL3675569
For the given ligand Upadacitinib, we have found in our database that, being scored 0.4408602, the most similar ligand is CHEMBL3675569. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL3675569 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 |
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| 0c00000a 01801000 00100422 11800e10 04080360 0000e010 0100b024 2000200c 10400981 00090280 21208004 40810800 00009802 00500800 018e0000 000c0004 08000008 0e000000 00600448 40000201 60000d00 18258440 21800040 10300018 04051000 80000200 08008000 90000184 04000004 00c60809 400c0200 20002680 | 04032002 01003200 00100100 05810610 04180240 00000000 00002000 2000000c 00400980 000b0ac0 28308000 5001b800 06008032 01102801 81020000 000c000c 00020000 0e000000 04400018 50000201 20000d00 38240e00 31000003 12500018 00041800 80000200 00000000 10000140 0c004004 0046000b 60004000 20802e00 |