On Target PADI4_HUMAN 0.38289964/CHEMBL5419109
For the given ligand Upadacitinib, we have found in our database that, being scored 0.38289964, the most similar ligand is CHEMBL5419109. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL5419109 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | Cn1c(-c2cc3cccc(OCCc4cccnc4)c3n2CC2CC2)nc2cc3c(nc21)CCN(C[C@H](N)CF)C3=O |
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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 | 1401d00a 0180f808 60184528 10050610 040c1070 0600c404 0680e401 0238104c 10400190 30093ac0 4920800c 40858800 06809886 09f08002 012e0441 0a0c240c 180a8208 1a002024 0c600408 50460205 c0920800 78248e78 21806001 8370811c 00045440 c1000200 0800c240 90000004 0c40030d 00460c43 e0049a04 a00026a0 |