On Target RT_HIV1 0.2881356/CHEMBL4227119
For the given ligand Ruxolitinib, we have found in our database that, being scored 0.2881356, the most similar ligand is CHEMBL4227119. Check out the elaboration below.
| Ruxolitinib (Given Ligand) | CHEMBL4227119 (Similar Ligand) |
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| N#CC[C@H](C1CCCC1)n4cc(c2ncnc3[nH]ccc23)cn4 | C=C(C)[C@@H]1CC[C@]2(CNCCn3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| 00010006 41810808 20080180 00840610 20080000 00006008 00000000 00100000 00004300 00000080 0000000c 60010800 82001c00 00900000 00020080 880c000c 00420040 82402004 04682000 00223003 c0000000 18038070 21802c41 02500114 00010003 80000000 00000000 10000040 0040000c 014e8001 c00a0200 400004a0 | 00000002 01000c00 00100302 40050600 00180040 00004000 80000080 20000402 00200900 001808c0 08309008 40018800 00029002 01200000 00000c82 000c000c 00000400 02000020 02412000 00000201 81000100 38020a30 21008021 02500014 01200000 80000000 00406000 d0000000 08400002 01460012 e40a0000 00000e00 |