On Target AHR_HUMAN 0.33490565/CHEMBL5274394
For the given ligand Upadacitinib, we have found in our database that, being scored 0.33490565, the most similar ligand is CHEMBL5274394. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL5274394 (Similar Ligand) |
|---|---|
| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | C[C@@H]1Cc2cc(C(=O)Nc3ccccc3)c(=O)n(C)c2C1 |
|
|
|
|
|
|
| 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 | 1000400a 0180d800 00005102 50800610 00041022 00000040 11006810 02001100 06400900 40080af0 0d388004 4081c800 80009880 02301800 001200c0 0a0c000c 00040000 86000004 08200408 00200001 c0100100 18048e10 21816000 0070051c 00040000 c0000001 08800040 80080080 00408104 00860043 c0200000 a0000600 |