On Target RT_HIV1 0.27864584/CHEMBL4106920
For the given ligand MOLECULE 78, we have found in our database that, being scored 0.27864584, the most similar ligand is CHEMBL4106920. Check out the elaboration below.
| MOLECULE 78 (Given Ligand) | CHEMBL4106920 (Similar Ligand) |
|---|---|
| O=C(OCC7OC(n5c(=O)n(c1ccccc1)c(=O)c4c(c2ccco2)cc(c3ccccc3)nc45)C(OC(=O)c6ccccc6)C7OC(=O)c8ccccc8)c9ccccc9 | COC(=O)N[C@H](C(=O)N[C@H](c1ccc([C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c2ccc3ocnc3c2)s1)C(F)(F)F)C(c1ccccc1)c1ccccc1 |
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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 | 00010052 01903200 03180100 05b10601 100c02c0 0003a0e0 14011481 2300520e 00ce4b28 c04918d0 09302204 e000b880 cc008c16 01602121 806c2440 001e020c 18423010 4a19000c 00700098 4000660f e0001900 78288e90 23900000 df780058 42000800 e4010006 40000810 d840202c 0c202780 2106000f e0144000 00c107f0 |