On Target CXCR4_HUMAN 0.5485437/CHEMBL3894327
For the given ligand Moexipril, we have found in our database that, being scored 0.5485437, the most similar ligand is CHEMBL3894327. Check out the elaboration below.
| Moexipril (Given Ligand) | CHEMBL3894327 (Similar Ligand) |
|---|---|
| CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N3Cc2cc(OC)c(OC)cc2C[C@H]3C(=O)O | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc6ccccc6c5)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc7ccc(O)cc7)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N8CCC[C@H]8C(=O)N[C@@H](Cc9ccc(O)cc9)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N4)C(=O)O |
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| 00018008 47805208 2010010a 94010700 000810a0 c0000000 03041000 22001004 00000880 000908c0 08302000 4000b000 0600c882 20202003 81181489 000c9008 10820200 02000020 00480008 00020201 80020120 38208e00 13004041 83448018 00000c00 c0000001 00324000 90000001 0c000300 0086000b 20044000 00402600 | 00018008 81807218 60100100 54110f00 000800a0 00000110 03000000 2200300c 00200a80 020f08c2 08300000 4003b000 1600989e 00a42001 80180480 021c0008 10000200 02000020 00c02008 004e2301 c0020140 38258e38 03004683 87500018 00000801 c0800001 40124400 90000000 0c000110 0086802b a00c4000 03412600 |