On Target PR_HIV1 0.2413793/CHEMBL3645125
For the given ligand Proscillaridin, we have found in our database that, being scored 0.2413793, the most similar ligand is CHEMBL3645125. Check out the elaboration below.
| Proscillaridin (Given Ligand) | CHEMBL3645125 (Similar Ligand) |
|---|---|
| C[C@@H]6O[C@@H](O[C@@H]5/C=C\4CC[C@@H]2[C@H](CC[C@]3(C)[C@@H](c1ccc(=O)oc1)CC[C@]23O)[C@@]4(C)CC5)[C@H](O)[C@H](O)[C@H]6O | COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CC3OCOCO[C@@H]3C2)cc1 |
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| 00040040 01200000 00080102 00810300 80280151 00c00900 02006800 08000402 02204800 41180068 40100020 48408000 48028400 02a00080 00000480 102a9008 00800020 02000020 3340a010 00000001 00100120 0a000000 0500c048 08580010 00201450 80004401 00404010 ae900021 62002202 01020002 24a20000 00000410 | 00000010 01c05408 2110010a 01b10700 00281080 00028000 02002800 a0000004 00742a00 014809e0 08302000 60018000 00008002 02200101 81e80001 003a0008 10822000 02080000 11408800 81027603 80100100 18280c90 07100040 d9500058 02000000 8000100e 00800000 3420008c 04000600 2106001b 80a00000 00012670 |