On Target RT_HIV1 0.2857143/CHEMBL4224822
For the given ligand Comp3, we have found in our database that, being scored 0.2857143, the most similar ligand is CHEMBL4224822. Check out the elaboration below.
| Comp3 (Given Ligand) | CHEMBL4224822 (Similar Ligand) |
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| O=C(O)c1cc(F)ccc1C#C/C\2=C/C/C=C2 | C=C(C)[C@@H]1CC[C@]2(CNCCN3CCCCC3)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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| 08000200 800e0800 00100900 02090200 00402000 0000c011 00000200 00000502 00000100 00102840 01000000 d4008808 80008800 00201000 01000200 40080008 00000000 22008000 00000002 20100000 02001001 08820a20 0000a001 82400815 00000004 80010002 00400000 02c00001 00000002 00028000 c4000800 00000200 | 00000000 01000800 00100302 44050600 00000000 00004000 80000080 20000402 00000900 001808c0 08300000 50018800 00028002 00202000 00000402 00080008 00000400 02000020 02012000 00000201 01000100 38020a30 00008021 02500014 01200000 80000000 00406000 d0000000 08400002 01060002 e4020000 00000600 |