On Target CXCR4_HUMAN 0.4618834/CHEMBL570787
For the given ligand Methotrexate, we have found in our database that, being scored 0.4618834, the most similar ligand is CHEMBL570787. Check out the elaboration below.
| Methotrexate (Given Ligand) | CHEMBL570787 (Similar Ligand) |
|---|---|
| CN(Cc2cnc1nc(N)nc(N)c1n2)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3 | CN(Cc1cn2c(N3CCOCC3)cccc2n1)C1CCCc2cccnc21 |
|
|
|
|
|
|
| 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 | 1001400a 01004020 00107182 98800e10 000411e0 00104000 0100e000 2a003803 00500900 200800c0 49358004 4081d800 04001882 00b00800 00061c48 020c010c 18062a00 06004006 88202408 40a00201 40120100 5c018820 33804800 00700110 00140400 c0000401 0800c0c0 90000080 0040830e 00c61802 60041000 a0004680 |