On Target CXCR4_HUMAN 0.36094674/CHEMBL1949888
For the given ligand STX, we have found in our database that, being scored 0.36094674, the most similar ligand is CHEMBL1949888. Check out the elaboration below.
| STX (Given Ligand) | CHEMBL1949888 (Similar Ligand) |
|---|---|
| N=C3NC1C(COC(N)=O)NC(=N)N2CCC(O)(O)C12N3 | CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCNC(=O)CC(CC(=O)NCCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C)NC(=O)CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 |
|
|
|
|
|
|
| 00000010 01400400 00100302 04210f00 00180080 00000010 00040005 a0002000 00200600 000201e2 06200002 40038000 0100b202 02802300 00001000 00380008 30a70010 00002000 00c02040 00000201 00000100 30032c30 13000081 02100010 00010003 00080002 40000200 30000000 08000210 00040017 801a0001 00002a00 | 00010000 01003608 20100100 04010e00 00000080 00000000 02000000 2000200c 00200a80 000a09e2 08300000 4003b000 0e00901a 00002001 80100000 001c0008 10000000 02000001 00002018 00020201 00000100 382d0e38 02000003 83500018 00001800 80000000 40120000 10000000 0c000010 0006001b a0084000 00002600 |