On Target NA_INFB 0.24074075/CHEMBL4175983
For the given ligand Ivacaftor, we have found in our database that, being scored 0.24074075, the most similar ligand is CHEMBL4175983. Check out the elaboration below.
| Ivacaftor (Given Ligand) | CHEMBL4175983 (Similar Ligand) |
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| CC(C)(C)c3cc(C(C)(C)C)c(NC(=O)c2c[nH]c1ccccc1c2=O)cc3O | CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCCC3)cc2)[C@H]1NC(C)=O |
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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 | 00074042 09007800 00100100 84010700 20180080 00002810 02080180 3a00140a 11000000 001108c8 40200004 41019001 0402881a 0188a000 00021448 00081008 10a44000 02000060 68c12010 00000201 40100020 38048e80 33008080 02500018 10001401 c0001400 00c04000 90000081 0c008300 00060401 24060000 00800a10 |