On Target CXCR4_HUMAN 0.35249043/CHEMBL3894327
For the given ligand 7mi, we have found in our database that, being scored 0.35249043, the most similar ligand is CHEMBL3894327. Check out the elaboration below.
| 7mi (Given Ligand) | CHEMBL3894327 (Similar Ligand) |
|---|---|
| CCC4CN3CCC2(O)/C(=N\c1cccc(OC)c12)C3CC4/C(=C\OC)C(=O)OC | 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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| 00010002 81000208 2010410a 10010f20 10081000 00204000 13000050 20027e02 11080940 003808c1 0a330004 70019040 9400901a 49a00000 03020cc1 000c2108 02824800 02000030 10c42038 00620601 c0000101 18010a30 e1201880 20500c18 00090801 c8100000 40001400 90000800 00085302 0006c00a 640ac001 24102610 | 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 |