On Target CXCR4_HUMAN 0.39285713/CHEMBL2370133
For the given ligand Captopril, we have found in our database that, being scored 0.39285713, the most similar ligand is CHEMBL2370133. Check out the elaboration below.
| Captopril (Given Ligand) | CHEMBL2370133 (Similar Ligand) |
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| C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O | C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](Cc5ccc6ccccc6c5)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N |
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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 81007218 60100100 44110f00 00080082 00000110 02010000 2000000c 00200880 020f08c2 08300010 4003b000 0600801e 01042009 80180000 000c0008 10000800 02000000 00402008 004e2301 40000140 38240e38 03000603 87500018 00000800 80800000 40130400 10000000 0c000000 0006802b 20004000 03412600 |