On Target DRB1_HUMAN 0.37004405/CHEMBL1253324
For the given ligand Methotrexate, we have found in our database that, being scored 0.37004405, the most similar ligand is CHEMBL1253324. Check out the elaboration below.
| Methotrexate (Given Ligand) | CHEMBL1253324 (Similar Ligand) |
|---|---|
| CN(Cc2cnc1nc(N)nc(N)c1n2)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CN1C(=O)c2ccc(N(C)C)cc2C1=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)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 | 10030002 01807e08 20100100 94010600 00000080 08008010 02000080 2200100c 00a00880 000b09f0 08300004 4003b000 1e00881a 0020a001 80180440 100c0008 10042000 02000001 09d02018 00020201 c0020100 382e8eb0 23000083 8350001c 00041801 c0200000 00124000 90000080 2c408102 0006001b a0044000 00802600 |