On Target NSP1_SARS 0.17889908/CHEMBL2441741
For the given ligand Fedratinib, we have found in our database that, being scored 0.17889908, the most similar ligand is CHEMBL2441741. Check out the elaboration below.
| Fedratinib (Given Ligand) | CHEMBL2441741 (Similar Ligand) |
|---|---|
| Cc3cnc(Nc2ccc(OCCN1CCCC1)cc2)nc3Nc4cccc(S(=O)(=O)NC(C)(C)C)c4 | CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O |
|
|
|
|
|
|
| 04002012 00800008 21100088 09b80612 02081288 00024010 0200a010 200008c8 00002100 000008c0 00302004 60009000 04800022 00000001 812a1941 000c020c 10042000 12004000 0840000a 50a26201 c0080002 1c042000 32804840 08400018 02040000 00000004 02040800 100110cd 00008608 20660804 43000000 000102e0 | 01030000 01403200 00100100 04010600 00000000 0001c010 00000000 2000000c 00e00b00 000a08c0 08300000 4003b000 0e00801a 00012001 80000000 021e0008 00020000 02080400 00002898 00000201 00000100 38240e38 00000003 83500018 00000800 80002002 00000000 10200020 0c000200 0006000b e0004000 00802600 |