On Target NS5B_HCV1B 0.26984128/CHEMBL3645193
For the given ligand MOLECULE 177, we have found in our database that, being scored 0.26984128, the most similar ligand is CHEMBL3645193. Check out the elaboration below.
| MOLECULE 177 (Given Ligand) | CHEMBL3645193 (Similar Ligand) |
|---|---|
| [H][C@]%13(n1cc(C)c(=O)[nH]c1=O)C[C@H](N=N#N)[C@@H](COP(=S)(OCc%10ccc(c8c2ccc(n2)c(c3ccccc3)c4ccc([nH]4)c(c5ccccc5)c6ccc(n6)c(c7ccccc7)c9ccc8[nH]9)cc%10)OC[C@H]%12O[C@@]([H])(n%11cc(C)c(=O)[nH]c%11=O)C[C@@H]%12N=N#N)O%13 | CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3ncoc3C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 |
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| 0800000a 01534000 10000102 97450618 001800e6 082941cc b0004480 0b101418 06004100 898809f1 0c00800d 60818a10 00009000 03cc433c 00aa5080 001e828c 203e8020 8280b205 38e01006 4190d017 85080022 1c008830 27800ac1 08750410 10040c07 e000c002 ac002600 50041260 8058c28d 01660022 75e80244 20819c80 | 00004006 0080de18 20180902 51310e10 210d0001 0010c042 02050400 02003419 00104900 004909f0 09392024 40118c02 80008c33 01600201 808a4440 240e200e 04268000 02010006 08602008 40225203 e4120101 1c8b8e38 2080c800 9770001c 02144084 e0004048 04274080 9804108c 0c488104 0046005b e4068088 a81147e0 |