On Target PLP_SARS 0.41704035/CHEMBL213054
For the given ligand Dihydroergotamine, we have found in our database that, being scored 0.41704035, the most similar ligand is CHEMBL213054. Check out the elaboration below.
| Dihydroergotamine (Given Ligand) | CHEMBL213054 (Similar Ligand) |
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| 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 | CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O |
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| 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 | 01030000 01407000 00100100 84010600 00040080 0023c010 00000000 20000008 00a00300 000208c0 00200000 4003b000 1e00801a 00092001 80001008 021a0008 00220000 02080400 02802890 01000201 00000020 38040e30 13000083 02500018 00000401 80002002 00800800 10200020 08000200 00060001 e0024000 00802200 |