On Target CASP1_HUMAN 0.47311828/CHEMBL198845
For the given ligand Pimecrolimus, we have found in our database that, being scored 0.47311828, the most similar ligand is CHEMBL198845. Check out the elaboration below.
| Pimecrolimus (Given Ligand) | CHEMBL198845 (Similar Ligand) |
|---|---|
| CC[C@@H]3/C=C(C)\C[C@H](C)C[C@H](OC)[C@H]4O[C@@](O)(C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@H](Cl)[C@H](OC)C2)C(C)[C@@H](O)CC3=O)[C@H](C)C[C@@H]4OC | OC1OC(=O)C[C@@H]1NC(=O)[C@@H]2COC[C@@H]3CCCC[C@H](NC(=O)c4ccc5ccccc5c4)C(=O)N23 |
|
|
|
|
|
|
| 000f0040 81005000 00900100 80810700 823c00c0 00200800 02002840 28000442 04002040 011000a8 40202000 5001f000 1602802a 02880002 80081408 28289008 10a20000 80000000 33c02010 00002201 00000120 10040f10 17008080 0810001c 10201401 08000400 00c04000 b0000021 00800200 0004000b 24224000 00822a10 | 00058040 01007800 00100300 84010f00 002c0080 00200000 00000800 22001008 00000000 000108e0 00200000 4001b000 1e00880a 00882003 80181408 00281108 10a60000 02000001 00c02010 00000201 00000020 38168e18 13000083 0250001c 10001401 c0000000 00800000 b0000001 08000300 00060001 a0464000 00002200 |