test molecule (Given Ligand) | CHEMBL1712377 (Similar Ligand) |
---|---|
COc1ncnc(OC)c1C(=O)Nc3nc(C(F)(F)F)c(c2ccccc2)s3 | O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1nccs1 |
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 | 00030002 00000400 00180100 04010600 00000000 00000400 00008100 12329008 00000000 20010962 00300a00 50009400 08008802 00002000 00002400 00240004 00000000 02004080 00000010 00a00200 00000000 38008680 60000821 02410010 00001000 cc000000 00000000 80000404 08000118 000e2011 00041000 04010300 |