On Target RT_HIV1 0.41935483/CHEMBL4227326
For the given ligand Saquinavir, we have found in our database that, being scored 0.41935483, the most similar ligand is CHEMBL4227326. Check out the elaboration below.
| Saquinavir (Given Ligand) | CHEMBL4227326 (Similar Ligand) |
|---|---|
| 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 | C=C(C)[C@@H]1CC[C@]2(CNCCc3ccccn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
|
|
|
|
|
|
| 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 | 0400000a 01000800 00104322 50050600 00040020 00004000 80000080 20000402 00000980 00180ac0 08308004 40818800 00028802 00200000 01020402 020c000c 00000400 0a000020 02212000 00000201 41000100 18228a30 20808020 81500014 01201000 80000000 00406040 d0000000 04400006 01060002 e4020000 20002600 |