On Target CXCR1_HUMAN 0.27751195/CHEMBL3609018
For the given ligand Upadacitinib, we have found in our database that, being scored 0.27751195, the most similar ligand is CHEMBL3609018. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL3609018 (Similar Ligand) |
|---|---|
| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | O=C(Nc1ccc(F)cc1)c1cnc(N(Cc2ccccc2)Cc2ccc(B(O)O)cn2)nc1 |
|
|
|
|
|
|
| 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 | 10004002 01000000 00104182 12010e18 01040820 00104010 00006000 02003001 00000180 20000848 40298004 6000c000 40008802 04101000 00020d40 021c0104 00042000 03004002 08600000 40a00200 c0100000 0c008e00 21812840 00600008 00160000 c0000080 04000040 90000081 0020811c 00468801 c0041000 800042a0 |