On Target NS3_HCV1A 0.3961039/CHEMBL4115040
For the given ligand XIE5-2-9, we have found in our database that, being scored 0.3961039, the most similar ligand is CHEMBL4115040. Check out the elaboration below.
| XIE5-2-9 (Given Ligand) | CHEMBL4115040 (Similar Ligand) |
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| CCN(CC)c4ccc(CNCc3ccc(OCc1ccc(Cl)cc1)c(OCc2ccc(Cl)cc2)c3)cc4 | CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc3c(c2)OCCN3)c1F |
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| 0400c002 44000808 20000108 80210600 00001000 00004000 02040000 02001000 00000100 00000840 00200004 40008800 02804886 00018080 01000441 02088008 00042000 02000000 08480000 00020200 40100000 08008120 20000000 00c49000 00002000 c0002000 00260000 80000080 00008300 00060008 40040000 00020200 | 0400e042 42000808 20101108 c2010602 80001281 00000010 22000000 01001000 00000800 00080e40 08340004 40008a00 02808866 20009084 01005041 28084008 03040200 03000000 08080400 00020201 41100500 18068300 33000000 10428014 00002000 a0000200 28040000 40800081 00008280 00068002 84040000 00020600 |