On Target CXCR4_HUMAN 0.34468085/CHEMBL1644072
For the given ligand 94, we have found in our database that, being scored 0.34468085, the most similar ligand is CHEMBL1644072. Check out the elaboration below.
| 94 (Given Ligand) | CHEMBL1644072 (Similar Ligand) |
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| COc1ccccc1NC(=O)CSc3nnc(Cc2cccn2C)n3CCc4ccccc4 | COc1ccc(CN(Cc2nc3ccccc3[nH]2)C4CCCc5cccnc45)c(CN)c1 |
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| 0000400e 00304308 70100928 10118e02 810b1020 00080004 06800100 2c003200 00060510 125c4cc0 0928810c 42818900 00008006 00140000 01020441 000c640c 04048000 02000007 88600000 00260a41 40300000 1e818600 21b02000 81488410 22000000 c0000201 20204040 d00100c0 04208204 0006004b a6000280 22210654 | 0000001a 45004008 2010490a 10810e10 00041160 00104000 03042000 22003003 00500900 000808c0 09318004 40818000 00000882 00600800 01020441 020c010c 00002200 06000006 00282408 00020201 40120100 18018020 21804000 00508010 00140000 c0000001 08224040 90000080 00400306 00c60802 60040000 20004680 |