On Target HPGDS_HUMAN 0.25757575/CHEMBL3650224
For the given ligand Captopril, we have found in our database that, being scored 0.25757575, the most similar ligand is CHEMBL3650224. Check out the elaboration below.
| Captopril (Given Ligand) | CHEMBL3650224 (Similar Ligand) |
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| C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O | O=C(Nc1ccc(cc1)N2CCC(CC2)C(=O)N3CCOCC3)N4CCN(CC4)C(=O)c5ccccc5 |
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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 | 00024006 01007800 00100100 84010e00 20000080 00002000 00000004 22003009 00200000 000308c0 00280004 50039000 0400a802 00102000 000a1448 00080108 10040010 02400000 08000000 00000201 40100100 38078600 32022020 0250001c 00100400 c0000000 00800000 90000081 08008300 00060001 80040000 00804200 |