| Methotrexate (Given Ligand) | CHEMBL3793994 (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 | Cc1ccc(N2CCC(CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C |
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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 | 00004002 00200800 00104180 90090e10 21161021 0010e050 00800000 02101001 00000900 200808c0 00292004 4003c000 00008802 00308000 00020860 0a0c010c 00040000 02004004 08e00000 40a00201 40120000 1c02ae20 21812880 00640014 00140001 80000001 080000f0 90001080 0040810c 02060801 c0041020 00004a00 |