On Target NOS2_HUMAN 0.3989071/CHEMBL1800533
For the given ligand Upadacitinib, we have found in our database that, being scored 0.3989071, the most similar ligand is CHEMBL1800533. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL1800533 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CCCCc1cnc2[nH]c(CCc3cc(OC)ccn3)nc2c1 |
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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 | 0200000a 43004808 2008450a 50840210 040c1160 4000c000 0000a000 00000008 10400900 00080040 28108004 40800800 08000800 20b08800 01860040 020c000c 08000000 06000004 00282408 40040001 40000500 08008020 21800000 00400114 00042800 80000200 08008040 00000004 00400204 00c60802 c0000000 202404a0 |