On Target PA_INFA 0.2993197/CHEMBL2040578
For the given ligand Velpatasvir, we have found in our database that, being scored 0.2993197, the most similar ligand is CHEMBL2040578. Check out the elaboration below.
| Velpatasvir (Given Ligand) | CHEMBL2040578 (Similar Ligand) |
|---|---|
| COC[C@H]9C[C@@H](c7ncc(c1ccc6c(c1)COc5cc4c(ccc3nc([C@@H]2CC[C@H](C)N2C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c34)cc56)[nH]7)N(C(=O)[C@H](NC(=O)OC)c8ccccc8)C9 | CC(NC(=O)c1nc(-c2cnccn2)[nH]c(=O)c1O)c1ccccc1 |
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| 0400a00a 01803809 20100d08 94010f10 001c1061 0811c01a 07480000 220a3049 00800380 004808d0 09218004 4081b800 0f808886 08712000 61020041 821e210c 00a28000 0608b022 04e02018 500a0a01 c0300008 38378e38 31802081 83d0501c 00146001 80082002 10000248 900010e8 0c034305 10e60803 e0046aa4 20006e80 | 00000202 00811808 40000100 10050e10 00000068 00124006 00c09800 0a003405 16000100 40180860 08290004 40048810 00008802 00708003 00820400 000c200c 08002068 1200b022 80c00000 10400000 80000000 48008600 21800040 4050011c 00044806 c0000680 28000030 80041004 0000410c 07660c03 c4048000 500006a0 |