On Target IKKB_HUMAN 0.481982/CHEMBL1923981
For the given ligand Methotrexate, we have found in our database that, being scored 0.481982, the most similar ligand is CHEMBL1923981. Check out the elaboration below.
| Methotrexate (Given Ligand) | CHEMBL1923981 (Similar Ligand) |
|---|---|
| CN(Cc2cnc1nc(N)nc(N)c1n2)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3 | CNc1nc2[nH]c(-c3cccc(CNC(=O)c4cnccn4)n3)cc2c2c1ncn2C |
|
|
|
|
|
|
| 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 | 1000a20a 00800000 00084900 18090e30 000c0061 0010c002 0040f000 02083843 10400100 100000c0 0129800c 40019800 06009802 00d00000 008e04c0 020c010c 0806a800 12006026 0ce00008 90e00807 c0000000 1c048e60 31806845 80600108 00140002 c0000000 080084c0 800010c4 0042c10c 00660c41 c0040a00 800046c0 |