On Target GASR_HUMAN 0.13953489/CHEMBL38874
For the given ligand cocaine, we have found in our database that, being scored 0.13953489, the most similar ligand is CHEMBL38874. Check out the elaboration below.
| cocaine (Given Ligand) | CHEMBL38874 (Similar Ligand) |
|---|---|
| c2ccc(c1ccccc1)cc2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO |
|
|
|
|
|
|
| 00002000 00000000 00000100 00010200 00000000 00000000 00000000 00000000 00000000 00000840 00000000 40008000 00000000 00000000 00000000 00000000 00020000 02000000 04000000 00000000 00000000 08000000 10000000 00400000 00000000 80000000 00000000 00000040 00004000 00020000 00000000 00000000 | 00000000 00007208 20100100 04010600 00000080 00000000 02000000 2000000c 00000880 000808c0 08300000 4000b000 06008002 00002001 80180000 000c0008 10000000 02000000 00000008 00020201 00000100 38200600 02000003 83400018 00000800 80000000 00120000 10000000 0c000000 0006000b 20004000 00000600 |