On Target CXCR4_HUMAN 0.35220125/CHEMBL366033
For the given ligand Captagon, we have found in our database that, being scored 0.35220125, the most similar ligand is CHEMBL366033. Check out the elaboration below.
| Captagon (Given Ligand) | CHEMBL366033 (Similar Ligand) |
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| CC(Cc1ccccc1)NCCn2cnc3c2c(=O)n(C)c(=O)n3C | NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC1=O |
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| 0000002a 00801c00 00180100 42010700 00180040 0000c080 00008000 00000000 06600980 800808e0 0c30900c 40008000 00009002 01400000 00280880 000c000c 00800000 02088000 00400000 00000201 80000100 38200040 21800041 83700014 00040000 c0200000 60000000 00040000 0c004000 00460012 c0080000 00000e80 | 00030000 01003208 20100100 04010e00 00180000 00000000 02000000 2000200c 00200a80 000a08c2 08300000 4003b000 06009032 01002001 80000000 001c0008 00000000 02000000 00400008 00020201 00000100 38250e28 01000003 83500018 00000800 80000000 40120000 10000000 0c000010 0006000b a0084000 00802e00 |