On Target PPIA_HUMAN 0.41237113/CHEMBL2424822
For the given ligand Methotrexate, we have found in our database that, being scored 0.41237113, the most similar ligand is CHEMBL2424822. Check out the elaboration below.
| Methotrexate (Given Ligand) | CHEMBL2424822 (Similar Ligand) |
|---|---|
| CN(Cc2cnc1nc(N)nc(N)c1n2)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3 | CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(C(=O)O)cc3[nH]2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O |
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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 | 0001000a 01007800 00100500 14050600 000400e0 0000c000 01000000 2000000c 00400100 000008c0 01208004 4081b000 1600800a 0040a001 801a0040 020c000c 10000000 06000004 00e02008 00000201 40300000 38060e70 23800083 0250001c 00000001 80000000 00000040 10000080 08400004 00c60801 e0004000 200022a0 |