On Target CASP1_HUMAN 0.29054055/CHEMBL180273
For the given ligand test molecule, we have found in our database that, being scored 0.29054055, the most similar ligand is CHEMBL180273. Check out the elaboration below.
| test molecule (Given Ligand) | CHEMBL180273 (Similar Ligand) |
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| COc1ncnc(OC)c1C(=O)Nc3nc(C(F)(F)F)c(c2ccccc2)s3 | CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O |
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| 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 | 10070022 41001400 0010250e 40110678 000d004c 08002000 0400c084 20009008 06e00001 a00048e0 08280a08 5007b000 0e019002 41c40021 80802981 080c000c 0c001048 42004181 00e00010 80a01603 d0101080 78188e82 21010b81 1261001a 06841003 cc100086 00000410 900000cc 0804080a 004610b1 20085000 81012288 |