On Target IL2_HUMAN 0.29109588/CHEMBL5398436
For the given ligand Upadacitinib, we have found in our database that, being scored 0.29109588, the most similar ligand is CHEMBL5398436. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL5398436 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CN(CCCCCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3c2CCC(C)(C)C3)cn1.O=C(O)C(F)(F)F |
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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 | 1003c00e c3803e08 60180182 94810e30 25180140 4800a002 1000a080 22001609 00b00800 800f0bd0 0839802c 5013f040 0e00989a 00b4a000 00060ce1 180c200c 08142288 06000000 09502400 00222245 c0520100 3847aed0 25816801 8350001c 01846012 c0200001 0832c010 90000080 2c408106 0086401b a40cc020 00822f68 |