On Target PA_INFA 0.24431819/CHEMBL2040554
For the given ligand Proscillaridin, we have found in our database that, being scored 0.24431819, the most similar ligand is CHEMBL2040554. Check out the elaboration below.
| Proscillaridin (Given Ligand) | CHEMBL2040554 (Similar Ligand) |
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| C[C@@H]6O[C@@H](O[C@@H]5/C=C\4CC[C@@H]2[C@H](CC[C@]3(C)[C@@H](c1ccc(=O)oc1)CC[C@]23O)[C@@]4(C)CC5)[C@H](O)[C@H](O)[C@H]6O | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 |
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| 00040040 01200000 00080102 00810300 80280151 00c00900 02006800 08000402 02204800 41180068 40100020 48408000 48028400 02a00080 00000480 102a9008 00800020 02000020 3340a010 00000001 00100120 0a000000 0500c048 08580010 00201450 80004401 00404010 ae900021 62002202 01020002 24a20000 00000410 | 00028000 01000000 00100102 00010600 00000000 00000000 00000080 28000400 01100800 001808c0 08300000 5001d800 86028026 00200000 00000400 00080008 00000000 02000000 02252018 00000201 00000100 18000b90 04008000 00500010 00003800 80002400 00444000 90000000 00004000 00060002 04020000 00822600 |