On Target TNFA_HUMAN 0.18055555/CHEMBL3938524
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.18055555, the most similar ligand is CHEMBL3938524. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL3938524 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | COc1cccc2c3N(C4CCC(CC4)C(=O)O)C(=O)N(C(=O)c3cnc12)c5cccc(Cl)c5 |
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| 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 | 00018002 01800208 60004008 02010700 000c1040 02004064 4e088002 00201000 06100100 c00008e0 0d00000c 40059800 0600981e 09e00001 113400c3 000c200c 08800008 0000c000 02602000 00020001 c0000080 18008b78 21800041 81308010 00042400 c0000000 20008000 00040000 04004200 00460008 400e0000 00020680 |