On Target NS5B_HCV1B 0.265625/CHEMBL3645180
For the given ligand Etravirine, we have found in our database that, being scored 0.265625, the most similar ligand is CHEMBL3645180. Check out the elaboration below.
| Etravirine (Given Ligand) | CHEMBL3645180 (Similar Ligand) |
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| Cc1cc(C#N)cc(C)c1Oc3nc(Nc2ccc(C#N)cc2)nc(N)c3Br | CCN(c1cc2nn(-c3ccc(Oc4ccccc4F)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O |
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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 | 00004006 00805e08 2018090a 43310e00 010c1000 00004052 02040000 02001408 00100900 000908c0 09312024 40118800 80008c23 01401201 810a0841 000e200c 04268800 02000004 08602008 00224201 c0500101 3c838e38 20800800 8360001c 02104080 c0000040 00270080 8020108d 0c488304 0046804b c4048480 a31147e0 |