On Target SRC_HUMAN 0.49253732/CHEMBL3321816
For the given ligand Methotrexate, we have found in our database that, being scored 0.49253732, the most similar ligand is CHEMBL3321816. Check out the elaboration below.
| Methotrexate (Given Ligand) | CHEMBL3321816 (Similar Ligand) |
|---|---|
| CN(Cc2cnc1nc(N)nc(N)c1n2)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3 | NC(=O)c1c(N)n(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c2nc3ccccc3nc12 |
|
|
|
|
|
|
| 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 | 1000400e 01801a00 40100100 08010610 040c1044 0001c000 0000c400 02001804 00d00100 000008d0 4128000c 4001d004 80009800 01d00000 008e20c0 100c0004 08040008 82800008 08600100 40200010 c0100000 1c068660 21812841 8140400c 00044000 80000000 08008000 90000884 04408108 10461009 c01c0200 c00006e0 |