On Target CASP1_HUMAN 0.52/CHEMBL202160
For the given ligand Methotrexate, we have found in our database that, being scored 0.52, the most similar ligand is CHEMBL202160. Check out the elaboration below.
| Methotrexate (Given Ligand) | CHEMBL202160 (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 | O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)nc1 |
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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 | 10048002 00819800 00104100 d0010e30 00041060 08100000 0000c010 02003001 00002100 00000850 01210004 4000b010 8e008802 08408000 008604c0 020c010c 08062000 12005007 08e00012 10a00a01 c0000000 5c168e00 21800880 0060011c 00141003 c0000000 08008440 80010088 0040810e 00461801 e0044000 80004280 |