On Target NOS1_HUMAN 0.32824427/CHEMBL397710
For the given ligand test molecule, we have found in our database that, being scored 0.32824427, the most similar ligand is CHEMBL397710. Check out the elaboration below.
| test molecule (Given Ligand) | CHEMBL397710 (Similar Ligand) |
|---|---|
| COc1ncnc(OC)c1C(=O)Nc3nc(C(F)(F)F)c(c2ccccc2)s3 | COC(=O)c1ccc(CN2CCC(Nc3nc4ccc(NC(=N)c5cccs5)cc4s3)CC2)cc1 |
|
|
|
|
|
|
| 10034043 01000019 2018098c 00010610 81000000 10024508 4040c580 18129409 00000900 a0000873 48302a04 50008600 08008008 00210001 21022803 801c200c 00820000 0200408c 04400010 c0a60000 84020001 08082e80 60a00c40 10414828 02041081 cc082980 00220a00 b0000744 0000430c 044e2001 c4005000 8c210380 | 00034002 11800c10 02100108 40050600 000c0000 0000c000 00000184 32329218 00400100 200819e3 00200a04 d001c480 80108832 01410020 000024c0 022c040c 00169000 03004098 08200010 00a0020d 40121000 5c0a8aa0 60810800 02710014 02000000 cc002002 40000000 90000484 00008318 000e2810 e2041000 04c10600 |