On Target NS3_HCV1A 0.29554656/CHEMBL3696817
For the given ligand Etravirine, we have found in our database that, being scored 0.29554656, the most similar ligand is CHEMBL3696817. Check out the elaboration below.
| Etravirine (Given Ligand) | CHEMBL3696817 (Similar Ligand) |
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| Cc1cc(C#N)cc(C)c1Oc3nc(Nc2ccc(C#N)cc2)nc(N)c3Br | COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(OC(C)C)O[C@H]2[C@@]1(C)N |
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| 0200c402 80008838 2000010a 08090600 82001029 00804000 0a04a400 00000808 80000104 80800850 00200004 41009040 00000106 08008001 81800041 001c200c 00460000 92004008 08e02000 10a66000 414a0200 0c000800 20800c40 00502000 00004000 80000000 00020000 102100c0 00008328 00460c00 40025408 082800c0 | 0000400a 01c01818 60080318 c1810f00 80180064 0008c004 1400ec41 80403808 00404100 818000f0 0c00900c 40059000 00001104 0b8a0120 01881884 101d8e0c 002e0020 00800008 39c00000 00247003 800a0020 3c000850 27800840 08400814 18000c40 40000202 0e060200 10010060 00000208 0046101c d1e84000 08298080 |