On Target PR_HIV1 0.22065727/CHEMBL492666
For the given ligand Ivacaftor, we have found in our database that, being scored 0.22065727, the most similar ligand is CHEMBL492666. Check out the elaboration below.
| Ivacaftor (Given Ligand) | CHEMBL492666 (Similar Ligand) |
|---|---|
| CC(C)(C)c3cc(C(C)(C)C)c(NC(=O)c2c[nH]c1ccccc1c2=O)cc3O | COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2CCCCCC2)cc1 |
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| 10004002 8080c808 20004102 40010610 10041003 00000060 02004000 02001200 02000000 40080840 09280024 4000c000 00008802 00708000 00020040 000c200c 00048080 02004004 08200000 00022400 c0100000 08068e08 20812000 8054001c 00040000 80000000 08920010 808c1080 00488100 00060003 c0040000 a0000600 | 00000010 01c05408 2110010a 01b10700 00081080 00028000 02000000 a0000004 00540a00 004809e0 08302000 60018000 00008002 00a00101 81e80001 001a0008 10822000 02080000 00402800 01027603 80000100 18280c90 03100040 d9500058 02000000 8000100e 00800000 1020108c 04000600 20060013 80020000 00012670 |