On Target CXCR4_HUMAN 0.3144654/CHEMBL3938247
For the given ligand D9-1, we have found in our database that, being scored 0.3144654, the most similar ligand is CHEMBL3938247. Check out the elaboration below.
| D9-1 (Given Ligand) | CHEMBL3938247 (Similar Ligand) |
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| CC(C)Cc1ncc(CCCNC(=N)N)[nH]c1=O | NCCCCN(Cc1cc2c(cn1)[nH]c3ccccc23)C4CCCc5cccnc45 |
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| 0000002a 00002000 00100400 10800c10 00000242 00000000 0000a824 00002008 16400a00 000800b2 08208000 40000000 00009080 02000800 00820000 00140004 08000000 06000000 00000408 00000001 24020080 10018000 21000000 00200010 00040000 40000000 48000000 10000104 00000014 00860808 80280000 20000200 | 0000000a 0100c000 00104902 10810e10 000c1160 00100000 0100a000 22003003 10700800 000808c0 08318004 40838000 00000882 00e00800 00060440 02040104 08002200 06000006 00202408 00000201 40120100 18018008 21804000 80500010 00140000 c0000001 0800c040 90000080 00400106 00860802 20040200 20006600 |