On Target NS3_HCV1A 0.42735043/CHEMBL3696817
For the given ligand S-Adenosylmethionine-NSP16, we have found in our database that, being scored 0.42735043, the most similar ligand is CHEMBL3696817. Check out the elaboration below.
| S-Adenosylmethionine-NSP16 (Given Ligand) | CHEMBL3696817 (Similar Ligand) |
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| C[S+](CCC(N)C(=O)[O-])CC3OC(n2cnc1c(N)ncnc12)C(O)C3O | COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(OC(C)C)O[C@H]2[C@@]1(C)N |
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| 0000000a 01c01800 80080023 88190660 001800e0 0200e020 00008c00 00000800 84c00100 018040f0 0c00b00c 400fb004 04019000 808c0100 00081090 101ec00c 04200020 00000000 19c00000 80201001 c0080020 10000a50 27800740 0c200014 10008400 40000012 00000200 10002070 00001208 00460020 c0280000 050100c0 | 0000400a 01c01818 60080318 c1810f00 80180064 0008c004 1400ec41 80403808 00404100 818000f0 0c00900c 40059000 00001104 0b8a0120 01881884 101d8e0c 002e0020 00800008 39c00000 00247003 800a0020 3c000850 27800840 08400814 18000c40 40000202 0e060200 10010060 00000208 0046101c d1e84000 08298080 |