On Target NK1R_HUMAN 0.41493776/CHEMBL538131
For the given ligand Pimecrolimus, we have found in our database that, being scored 0.41493776, the most similar ligand is CHEMBL538131. Check out the elaboration below.
| Pimecrolimus (Given Ligand) | CHEMBL538131 (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 | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)NCc6cc(cc(c6)C(F)(F)F)C(F)(F)F |
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| 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 | 00010042 018a7a08 20100100 c5810710 803c12c1 00200000 12003c00 2a00100c 00600880 010908f0 08300004 4001b002 1e00880a 03c82801 80181448 002f900c 10a00040 02000000 11e0a408 00020201 c0100120 38248618 37800083 9b500018 10043c01 c0000000 08920000 b4000021 0c000302 0006000b 20f44200 00002620 |