On Target CXCR4_HUMAN 0.32768363/CHEMBL438934
For the given ligand MIe-421, we have found in our database that, being scored 0.32768363, the most similar ligand is CHEMBL438934. Check out the elaboration below.
| MIe-421 (Given Ligand) | CHEMBL438934 (Similar Ligand) |
|---|---|
| NC(=O)C3Oc1ccccc1C2CC23 | COc1ccc(C[C@H]2NC(=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](NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)cc1 |
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| 04010000 01000018 6000010a 00010702 00081000 82000000 02000000 00000200 00110800 000808c0 08140000 4001d040 0480800a 01200000 11001001 00082008 00800000 a2028000 00402000 00020001 00000100 18040610 03000040 00400410 00000000 c0000000 00000008 00000000 00000302 00064002 00000000 00400400 | 00010000 81007218 60100108 44110f00 00081082 00000110 02050000 2000200c 00200880 020f08c2 08300010 4003b000 0600901e 01042009 81180001 000c0008 10000800 02000000 00402008 004e2301 40000140 38250e30 03000603 87500018 00000800 80800000 40130400 10000000 0c000200 0006802b 20084000 03412600 |