On Target CXCR4_HUMAN 0.36969697/CHEMBL2029611
For the given ligand test1, we have found in our database that, being scored 0.36969697, the most similar ligand is CHEMBL2029611. Check out the elaboration below.
| test1 (Given Ligand) | CHEMBL2029611 (Similar Ligand) |
|---|---|
| CCCCCC(O)C(O)C2/C=C\CC1CC(=O)NCCCCNCCCN12 | C\C\1=C(\C)/[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc4ccc(O)cc4 |
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| 00010010 89009400 00100800 00000400 00080080 00000000 00180000 20000402 00200000 001081a8 00200200 41031000 0c028102 00810000 00080404 00080108 30000000 00000140 00c12012 00002201 00000000 10040610 07008080 00100018 00201001 00000000 00484000 90000000 00000000 00040411 24020000 02002200 | 00010010 0900b208 21900102 04110e00 00000000 00000000 02180040 2000240e 00200ac0 001808ca 08300000 4103b000 06029112 00212001 80000400 00140308 20000000 02000140 00012008 00021201 00000100 38250638 00008003 83500018 00200800 80000000 405a4000 90000100 0c000010 0006040b ac084000 00012600 |