On Target NS5B_HCV1A 0.22097379/CHEMBL3644940
For the given ligand Rilpivirine, we have found in our database that, being scored 0.22097379, the most similar ligand is CHEMBL3644940. Check out the elaboration below.
| Rilpivirine (Given Ligand) | CHEMBL3644940 (Similar Ligand) |
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| Cc1cc(/C=C/C#N)cc(C)c1Nc3ccnc(Nc2ccc(C#N)cc2)n3 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CN(c2cc(Nc3ccccc3)nc(OC)n2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 |
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| 00000202 00000800 00000100 08090620 02000029 00004000 8000a090 00000cc0 00002100 00800840 00300004 41029000 04000000 00008000 00020042 000c000c 00440400 12004000 08c0000a 10a00000 40080000 0c040000 21804c40 00400000 00000000 80000000 02402100 400110c0 0048c008 00660c00 44000000 000020c0 | 00030486 0d403410 00100120 0d390f00 a0080000 0001c100 000a8814 a0103c09 10802300 00528be8 00302424 7001b050 0e00f102 01042101 a0c20640 001e800c 12865010 10486000 4861085a 10205a01 60120300 be050e10 21824043 3204003a 02192000 00f01102 02000400 902000ac 0a008218 81460093 e4185000 050122f0 |