On Target CXCR4_HUMAN 0.36607143/CHEMBL3963508
For the given ligand Oxycodone, we have found in our database that, being scored 0.36607143, the most similar ligand is CHEMBL3963508. Check out the elaboration below.
| Oxycodone (Given Ligand) | CHEMBL3963508 (Similar Ligand) |
|---|---|
| COc2ccc1C[C@H]4N(C)CC[C@]35c1c2O[C@H]3C(=O)CC[C@@]45O | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C1(Cc2ccccc2C1)NC(=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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| 04051000 43000208 2010050a 00210700 001810e1 c2000002 07041000 20008241 00050880 010818c0 08340000 5081d140 0480c01a 22a00080 110c0021 020ca018 18800200 a2008000 07482008 00020201 00000100 18200210 03004040 83500410 00000800 c0000001 00120208 10000000 04000302 0006c80a 00020000 00002e40 | 00010000 81007218 60100102 44110f00 000800a0 00000110 03000000 2000200c 00200a80 020f08c2 08300000 4003b000 1600901e 00a43001 80180000 021e0008 10000200 02000000 00c02008 004e2301 40000140 38250e38 03004683 87500018 00000801 80800001 40120400 10000000 0c000010 0006802b a0084000 03412600 |