On Target NOS3_HUMAN 0.4329897/CHEMBL592445
For the given ligand Methotrexate, we have found in our database that, being scored 0.4329897, the most similar ligand is CHEMBL592445. Check out the elaboration below.
| Methotrexate (Given Ligand) | CHEMBL592445 (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 | CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1 |
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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 | 00018006 01001c21 80102100 80010e40 03000080 00000000 00000000 22083881 00000100 000009e0 00292004 50019800 06009802 00108000 00021448 1808010c 10041800 02006000 08000000 00200201 40000100 180ea600 72026000 0050001c 00100400 c0000000 00000000 900000e0 0000830c 00460011 a0041800 00004200 |