On Target PR_HIV1 0.125/CHEMBL503401
For the given ligand Rilpivirine, we have found in our database that, being scored 0.125, the most similar ligand is CHEMBL503401. Check out the elaboration below.
| Rilpivirine (Given Ligand) | CHEMBL503401 (Similar Ligand) |
|---|---|
| Cc1cc(/C=C/C#N)cc(C)c1Nc3ccnc(Nc2ccc(C#N)cc2)n3 | COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2COCCOCOCCOC2)cc1 |
|
|
|
|
|
|
| 00000202 00000800 00000100 08090620 02000029 00004000 8000a090 00000cc0 00002100 00800840 00300004 41029000 04000000 00008000 00020042 000c000c 00440400 12004000 08c0000a 10a00000 40080000 0c040000 21804c40 00400000 00000000 80000000 02402100 400110c0 0048c008 00660c00 44000000 000020c0 | 00000010 01c05409 2110050a 01b10600 000810c0 00028000 02002000 28000044 00742a00 014809e0 08302000 60018010 00008002 00200001 81e80001 003a8008 10022000 02080000 01400800 01027603 80100120 18280c90 07100040 d9500058 02000400 8000000e 00800000 342000ec 04000600 20060013 80000000 00012670 |