On Target PA_INFA 0.2837838/CHEMBL2040569
For the given ligand Daclatasvir, we have found in our database that, being scored 0.2837838, the most similar ligand is CHEMBL2040569. Check out the elaboration below.
| Daclatasvir (Given Ligand) | CHEMBL2040569 (Similar Ligand) |
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| COC(=O)N[C@H](C(=O)N1CCC[C@H]1c6ncc(c5ccc(c4ccc(c3cnc([C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc4)cc5)[nH]6)C(C)C | O=C(NCC1CC1)c1nc(-c2cnccn2)[nH]c(=O)c1O |
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| 0000a00a 01003000 00100d00 14010e10 00000040 0011801a 01400000 20082049 00800300 000008d0 00218000 4001b800 0e008082 08102000 00020000 801e010c 00028000 06082022 04000018 50000a01 00200000 38070e10 31002001 02500018 00140001 80080002 00000208 100010e0 08014204 00e60801 e00048a0 20002200 | 00000202 00011808 40100100 10040e10 00000068 00124006 00c09800 28003405 16000100 401000a0 00290004 40040810 00008002 01708003 00820400 000c200c 08000068 1200b022 80c00000 10400201 00000000 50058600 21800040 4010011c 00044806 c0000680 28000030 90041004 0000410c 07660c01 e4008000 500002a0 |