On Target CXCR4_HUMAN 0.48034933/CHEMBL1221944
For the given ligand Pimecrolimus, we have found in our database that, being scored 0.48034933, the most similar ligand is CHEMBL1221944. Check out the elaboration below.
| Pimecrolimus (Given Ligand) | CHEMBL1221944 (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 | C[C@H](OC(=O)C)\C=C/C(=O)N[C@@H]1C[C@H](C)[C@H](C\C=C(/C)\C=C\[C@H]2O[C@@](C)(C[C@@]3(CO3)[C@@H]2O)OCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)O[C@@H]1C |
|
|
|
|
|
|
| 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 | 00050050 c704f000 20100800 80910f40 c03801c0 00800801 02103804 28002402 05200000 031040e8 40200200 c0079000 0403910e 02870100 0008140c 0028900c 34821040 00002100 3141a0f0 0000a301 c0102120 30051e90 1740a300 0830001a 10211400 00008c00 00c84200 b4000021 08000242 00040021 24aa0000 07812a10 |