On Target CXCR4_HUMAN 0.4331984/CHEMBL1256583
For the given ligand pmi, we have found in our database that, being scored 0.4331984, the most similar ligand is CHEMBL1256583. Check out the elaboration below.
| pmi (Given Ligand) | CHEMBL1256583 (Similar Ligand) |
|---|---|
| CCC4CN3CCC2(Nc1cccc(OC)c1C2=O)C3CC4/C(=C\OC)C(=O)OC | Cl.NC(=N)NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c4ccc(F)cc4)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@@H](CCCNC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN6CCC(CC6)NC(=O)C(=O)Nc7ccc(Cl)cc7)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(=O)N)C(=O)N1)C(=O)N |
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| 10034002 81000e08 2010012a 14010700 20081000 00032050 03000000 20001600 11900800 00380be0 08300004 5001b0c0 8c00801a 09a02000 03020541 000c200a 90a64080 02000000 08452018 00022601 60100100 38220a10 21000001 83500417 00001000 c0000080 00001800 90001080 0c00c302 0006c01a a402d000 20822610 | 0003c002 81003e18 60100120 46110f00 00000000 00000110 02000000 2200300c 04200a80 020f0be2 08380004 5003b800 0600981e 00143001 80200440 00140008 00040000 02000100 08002008 005e2301 40100140 382f8738 20002603 8750001e 00002800 c0800080 401a0400 90000081 0c008112 0006803b a00e5000 03c32600 |