On Target PA_INFA 0.2890625/CHEMBL2040640
For the given ligand Dihydroergotamine, we have found in our database that, being scored 0.2890625, the most similar ligand is CHEMBL2040640. Check out the elaboration below.
| Dihydroergotamine (Given Ligand) | CHEMBL2040640 (Similar Ligand) |
|---|---|
| CN6C[C@H](C(=O)N[C@]4(C)OC3(O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)N3C4=O)C[C@@H]5c7cccc8[nH]cc(C[C@H]56)c78 | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCCN(S(=O)(=O)Cc2ccccc2)C1 |
|
|
|
|
|
|
| 02010002 21c07e00 00100102 c5810710 000c1180 00038010 00023000 a000000c 00d00a80 000909e0 08302004 5001f000 be00881e 01602b03 80181048 183e100c 10800040 82080004 00602d18 00000201 40000120 382486f8 33800023 9350003c 30043c00 80081002 18800040 30a00021 0c400202 0006001b a0064200 00402620 | 00018000 05000220 00102102 01310600 00000000 00000000 00000084 28008400 11000800 007808c4 08302418 5001d800 8e029036 00240001 80400400 000c0008 0000400c 02000100 00252018 00004a01 80000100 1c800b90 04008000 10500030 02003800 80002400 00444000 9000000c 04004002 0006008a 24000000 00032670 |