On Target PR_HIV1 0.22629969/CHEMBL3645129
For the given ligand MOLECULE 177, we have found in our database that, being scored 0.22629969, the most similar ligand is CHEMBL3645129. Check out the elaboration below.
| MOLECULE 177 (Given Ligand) | CHEMBL3645129 (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 | CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CC2OCO[C@@H]2C1)S(=O)(=O)c1ccc(CO)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 | 00000010 01c05400 01100102 01b10700 00280088 0002c004 00000800 a8000004 00740b00 014809e0 08302000 60018000 00008002 02200101 80e80000 003a0008 10822000 02080000 11408800 01007603 80000100 18380cb0 07100040 d9500058 02000000 8000100e 00000000 3420002c 04000600 2106001b c0a00000 00012670 |