On Target MMP9_HUMAN 0.41484717/CHEMBL4646589
For the given ligand Upadacitinib, we have found in our database that, being scored 0.41484717, the most similar ligand is CHEMBL4646589. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL4646589 (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@@H]1CCCCn2cc(nn2)C[C@H](N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |
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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 | 04010002 53003a18 60300101 45810618 040c1240 c0000010 06002020 2000020c 00400980 10090ac0 28308004 7001b8c0 1e008a9e 00d06801 83030040 080c200c 00000000 8e000000 00602418 40060201 60020d00 38248638 21801003 9350001c 00243800 80000200 08120000 10002100 0c000004 0046800b 70044200 2400a620 |