On Target ACE2_HUMAN 0.3/CHEMBL251809
For the given ligand XIE5-1-23, we have found in our database that, being scored 0.3, the most similar ligand is CHEMBL251809. Check out the elaboration below.
| XIE5-1-23 (Given Ligand) | CHEMBL251809 (Similar Ligand) |
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| N=C(N)N/N=C/c3ccc(OCc1ccccc1)c(OCc2ccccc2)c3 | CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)C(=O)O |
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| 04000008 40000008 20000108 00210a00 00003000 00004000 02040000 81084000 00000100 00000843 00000000 40008000 80804002 00010080 01000001 02088008 00000000 02000000 00480400 00020200 00080000 08000020 40040002 08c01000 00000000 80002800 40020100 00000000 00000228 000e0208 40100800 00000000 | 04010000 01005008 20100108 00150600 00001080 00004000 82040400 20000004 00000980 020a08d0 08300000 4001b000 06808002 01050000 81080001 02080008 10000000 02000000 00400008 00020201 00000100 18200e20 03000140 85d01018 00000800 80002000 00120100 90000040 04000200 00060003 60104000 03012600 |