| Methotrexate (Given Ligand) | CHEMBL1076471 (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(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCCC2COCCN2)ncn1 |
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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 | 00014206 01820a00 02101100 88090700 680c00c1 0a006000 10008c00 22101804 00308100 400008d0 092a800c 4203d012 07009803 05508000 000a1040 080c114c 18849008 16804000 09600000 10a00201 c0100020 5c068630 338168c1 01700014 10080400 80100200 0c008400 90011089 04808308 004e180b c0143000 000002c0 |