On Target CXCR4_HUMAN 0.40562248/CHEMBL3627794
For the given ligand DS-245, we have found in our database that, being scored 0.40562248, the most similar ligand is CHEMBL3627794. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL3627794 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | NCCCCN(C[C@@H]1CN(CCN1)C(=O)c2ccccc2)[C@H]3CCCc4cccnc34 |
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| 0002800a 09003900 02100902 15910e54 18000100 02120022 074030a0 2a01f00f 84400800 004948d8 00218a00 d004b820 060188d6 08243c21 84422400 00040304 04009200 060000a6 00202018 80004a41 44101800 f88f8780 20004309 52c1001c 02143000 cc010401 00200a00 90003184 080a0304 04861825 a8044080 21032210 | 0000000a 01007c00 00104102 14810e10 00041120 00100000 01002000 22003009 00700800 000909e0 08318004 40838000 00008882 00202800 00020400 02040104 00000200 06000006 00202408 00000201 40120100 380b8600 20804023 0250001c 00140000 c0000001 08004040 90000080 08400106 00860013 a0040000 20006600 |