On Target IKKA_HUMAN 0.46919432/CHEMBL562370
For the given ligand Methotrexate, we have found in our database that, being scored 0.46919432, the most similar ligand is CHEMBL562370. Check out the elaboration below.
| Methotrexate (Given Ligand) | CHEMBL562370 (Similar Ligand) |
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| CN(Cc2cnc1nc(N)nc(N)c1n2)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3 | CNc1nc2[nH]c(-c3cccc(CNC(=O)CCC(N)=O)c3)cc2c2c1ncn2C |
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| 1003c00a 01a05800 00180902 98090e30 0a1a10c8 0010c000 0000e000 22001801 10400100 000208c0 41210004 4000b000 06008822 02108000 008e0440 100c010c 18040000 02000000 08400000 40200201 40100000 1c068e40 23810840 0040001c 00140000 c0000001 08008000 9000008c 0000810c 00461801 e0044000 80800ac0 | 0002a00a 00800000 00184100 18090620 000c0061 0400c000 1000b000 22081800 00600100 100008c0 0120800c 40039800 06009802 00d00000 000e04c0 020c000c 08060800 0a007004 0c600000 80e00203 c0000008 1c048660 31806845 80600118 00000002 c0000000 080084c0 900000c1 0042c10e 00460c41 60040a00 008006c0 |