On Target CXCR4_HUMAN 0.19469027/CHEMBL366033
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.19469027, the most similar ligand is CHEMBL366033. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL366033 (Similar Ligand) |
|---|---|
| NCC1(CC(=O)O)CCCCC1 | NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC1=O |
|
|
|
|
|
|
| 00030000 01000000 00000000 00000400 00180000 00000000 00000000 00000000 00000000 00000080 00000000 40011000 04008008 00800000 00000000 00080008 00000000 00000000 02402000 00000001 00000000 10000a10 01000000 00000010 00000000 00000000 00000000 00000000 00000000 00040000 00020000 00000000 | 00030000 01003208 20100100 04010e00 00180000 00000000 02000000 2000200c 00200a80 000a08c2 08300000 4003b000 06009032 01002001 80000000 001c0008 00000000 02000000 00400008 00020201 00000100 38250e28 01000003 83500018 00000800 80000000 40120000 10000000 0c000010 0006000b a0084000 00802e00 |