On Target PR_HIV1 0.22996515/CHEMBL450294
For the given ligand Ledipasvir, we have found in our database that, being scored 0.22996515, the most similar ligand is CHEMBL450294. Check out the elaboration below.
| Ledipasvir (Given Ligand) | CHEMBL450294 (Similar Ligand) |
|---|---|
| COC(=O)N[C@H](C(=O)N2CC1(CC1)C[C@H]2c%10nc(c9ccc8c7ccc(c6ccc5[nH]c([C@@H]4[C@H]3CC[C@H](C3)N4C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c6)cc7C(F)(F)c8c9)c[nH]%10)C(C)C | COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2COCCN(C)CCOC2)cc1 |
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| 0000a00a 01003801 00100d00 94050e10 00040061 1011c01a 01400400 21082049 00800300 000808d0 09218004 7081ba02 0e008082 0970a000 20020040 821e010c 00028000 06083026 04202018 50080a1b 44300008 38070e30 31806011 02500038 00940001 a0080082 00000248 d00010e1 0a414284 01e60803 e01248a0 200066a0 | 00000010 01c05409 2110050a 81b10600 000810c0 00028000 02000000 20000044 00542a00 014809e0 08302000 60018010 00008002 00200001 81e81009 001b0008 10022000 02080000 01400800 01027603 80000120 18280c90 17100040 d9500058 12000400 8000000e 00800000 102000ed 04000600 20060013 80000000 00012670 |