On Target KI20A_HUMAN 0.17934783/CHEMBL3753955
For the given ligand Upadacitinib, we have found in our database that, being scored 0.17934783, the most similar ligand is CHEMBL3753955. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL3753955 (Similar Ligand) |
|---|---|
| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | N#C/C(=C\c1cccnc1)c1c[nH]c2ccccc12 |
|
|
|
|
|
|
| 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 | 00000002 00000800 00004100 42010230 00041004 00100000 80002080 00000400 00400100 00082840 08000104 40028000 00008800 00400000 00000042 00440004 00400400 02000004 00220400 01000002 40000000 1a008008 20800400 80400010 00042000 80000000 08402100 40000000 00480000 00020002 24040200 000024a0 |