On Target PA_INFA 0.3248731/CHEMBL2040586
For the given ligand GTPL10716-3CLPro, we have found in our database that, being scored 0.3248731, the most similar ligand is CHEMBL2040586. Check out the elaboration below.
| GTPL10716-3CLPro (Given Ligand) | CHEMBL2040586 (Similar Ligand) |
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| Cc3cc(C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C\C(=O)OCc1ccccc1)C[C@@H]2CCNC2=O)C(C)C)no3 | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccc(Cl)cc2)CC1 |
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| 00038080 0100f000 001a0100 26010e00 00000410 00104810 12100080 28003408 01220100 001188c0 40210000 4003b000 06028042 00013041 d0000400 0a0c000e 22020200 02020500 22012010 01101201 00802000 38068fb4 00808203 2258009c 00001400 c800ac00 08c84020 98401121 08000304 02060001 ec004000 42802230 | 00028000 01000000 00100102 00010600 00000000 00000000 00000080 2a001400 01100800 001808c0 08300000 5001d800 86028866 00200000 00000400 00080008 00000000 02000000 00250018 00000201 00000100 18008b80 04008000 00500010 00003800 c0002400 00444000 90000000 00004100 00060002 24040000 00820600 |