On Target AOFB_HUMAN 0.24468085/CHEMBL3415788
For the given ligand Captopril, we have found in our database that, being scored 0.24468085, the most similar ligand is CHEMBL3415788. Check out the elaboration below.
| Captopril (Given Ligand) | CHEMBL3415788 (Similar Ligand) |
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| C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O | C[NH+](CC#C)CC(=C)CCc1ccccc1.OC(=O)C(=O)[O-] |
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| 00010000 01005000 00100000 00100400 00080080 00000010 00000000 20000000 00000000 00000080 00200000 40013000 06008012 01040000 80080000 00080008 10000000 00000000 00400000 00400201 40000000 10040e00 03000200 00100018 00000000 00000000 00000000 10000000 00000000 00040021 20004000 01012200 | 00000000 01000000 00100102 00010600 00402000 00000000 00000000 20100400 04100800 001808c2 08300000 4001c000 00008002 00210000 00100000 00080008 00000000 02000100 00000000 00000201 00000100 18000a00 04010000 00500010 00000000 80000000 00080000 90020000 00000000 00060002 04000020 00010600 |