On Target PA_INFA 0.35428572/CHEMBL463590
For the given ligand Saquinavir, we have found in our database that, being scored 0.35428572, the most similar ligand is CHEMBL463590. Check out the elaboration below.
| Saquinavir (Given Ligand) | CHEMBL463590 (Similar Ligand) |
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| CC(C)(C)NC(=O)[C@@H]2C[C@@H]1CCCC[C@@H]1CN2C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)c5ccc4ccccc4n5 | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 |
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| 00038002 01007c00 00104102 14010e00 000400a0 00100000 00000000 2200300d 00300880 000909e0 08390004 5003b000 0e00880a 00702002 801a0440 020c010c 10000000 02000003 02602010 00000201 40000100 382b8618 23802041 8350001c 00101000 c0000000 00000040 90000000 0c000106 00060013 a0064000 00806600 | 00028000 01000000 00100102 00010600 00000000 00000000 00000080 2a001400 01100800 001808c0 08300000 5001d800 86028826 00200000 00000400 00080008 00000000 02000000 00250018 00000201 00000100 18008b80 04008000 00500010 00003800 c0002400 00444000 90000000 00004100 00060002 24040000 00820600 |