On Target PA_INFA 0.24223602/CHEMBL2040578
For the given ligand MOLECULE 177, we have found in our database that, being scored 0.24223602, the most similar ligand is CHEMBL2040578. Check out the elaboration below.
| MOLECULE 177 (Given Ligand) | CHEMBL2040578 (Similar Ligand) |
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| [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 | CC(NC(=O)c1nc(-c2cnccn2)[nH]c(=O)c1O)c1ccccc1 |
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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 | 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 |