On Target PD2R2_HUMAN 0.43612334/CHEMBL1641812
For the given ligand Upadacitinib, we have found in our database that, being scored 0.43612334, the most similar ligand is CHEMBL1641812. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL1641812 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(=O)O)c3cccnc3n2C1)c1ccc(F)cc1 |
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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 | 0000800a 01007e00 00505502 52010618 041c5060 00004112 01002020 20000001 00700980 100818c0 2930900c 40819800 83089802 00f09000 c00e08e0 020c000c 18004000 86800084 00600408 40100201 e0000500 38248e30 21804001 8350051c 08042000 c0000301 08400040 10000181 0c440004 00c6885b 400c2200 20002ea0 |