On Target CCR5_HUMAN 0.48876405/CHEMBL363564
For the given ligand Upadacitinib, we have found in our database that, being scored 0.48876405, the most similar ligand is CHEMBL363564. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL363564 (Similar Ligand) |
|---|---|
| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4cccnc4n3)CC2)[C@@H](c2ccccc2)C1 |
|
|
|
|
|
|
| 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 | 0001000a 01800600 00100100 00810610 040812c0 0000c010 0000a020 20000000 00600980 000809e0 29308004 5003b800 0600880a 00900810 800e0000 000c000c 18000000 06000000 00402408 40000201 20000500 18208a50 23800040 81500110 00040000 80000200 08008000 10000100 04000004 0046001a 40024000 20002680 |