On Target MDR1_HUMAN 0.6229508/CHEMBL2075030
For the given ligand Captopril, we have found in our database that, being scored 0.6229508, the most similar ligand is CHEMBL2075030. Check out the elaboration below.
| Captopril (Given Ligand) | CHEMBL2075030 (Similar Ligand) |
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| C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O | CCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCC |
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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 | 00010000 01005000 00100000 00000400 00080080 00000000 00000000 20000000 00000000 00000080 00200000 40011000 0400800a 00800000 00080000 00080008 10000000 00000000 01402000 00000201 00000000 10040610 03000000 00100018 00000000 00000000 00000000 10000000 00000000 00040001 00020000 00002200 |