On Target PR_HIV1 0.2554517/CHEMBL3645128
For the given ligand MOLECULE 78, we have found in our database that, being scored 0.2554517, the most similar ligand is CHEMBL3645128. Check out the elaboration below.
| MOLECULE 78 (Given Ligand) | CHEMBL3645128 (Similar Ligand) |
|---|---|
| O=C(OCC7OC(n5c(=O)n(c1ccccc1)c(=O)c4c(c2ccco2)cc(c3ccccc3)nc45)C(OC(=O)c6ccccc6)C7OC(=O)c8ccccc8)c9ccccc9 | COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CC3OCCO[C@@H]3C2)cc1 |
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| 0000a002 01e00a00 8008470c 92050700 003c00f0 0200e140 00009e42 00a81440 06506102 d18008f0 0c00182c 60118812 c2809c00 03f98150 10be10e0 0a1ef20c 08a64028 0280f800 1de08200 00601001 c04c00a0 18828a70 37802041 8d78041c 10040400 c0002002 64088271 18040871 04004305 0146040e c03c0840 420006a8 | 00000010 01c05408 2110010a 01b10700 002810c0 00028000 02000000 a0000044 00542a00 014809e0 08302000 60018000 00008002 02200101 81e80001 001a9008 10822000 02080000 11400800 01027603 80000120 18280c90 07100040 d9500058 02000400 8000100e 00800000 102200ac 04000600 2106001b 80000000 00012670 |