On Target PPARG_HUMAN 0.35148516/CHEMBL603424
For the given ligand NB001, we have found in our database that, being scored 0.35148516, the most similar ligand is CHEMBL603424. Check out the elaboration below.
| NB001 (Given Ligand) | CHEMBL603424 (Similar Ligand) |
|---|---|
| Nc1ncnc2c1ncn2CCNCCCCCO | O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCC2CC2)n3cnc4c(NCc5cccc(I)c5)ncnc34 |
|
|
|
|
|
|
| 0000000a 01801c00 00180000 48080620 00180040 0000c000 00008000 20000800 00600100 00000080 0020900c 40011000 00001002 01800000 00080880 100c000c 00000000 00000000 00400000 80200201 80000000 30000040 21800041 02100014 08000000 00000000 00000000 10000000 08000008 00460010 c0080000 00000ac0 | 0205000a c3801800 a0180160 08190660 02190068 0300e000 20008001 22001800 00400100 028248c0 0020900c 4007d008 14019856 038c0300 04c80081 100cc01c 04040000 02004000 00c00120 80202201 80110040 18048676 278147c4 0450001c 28830003 801800b0 00004400 900000f0 00021108 804e0021 c02c1000 07012ac0 |