test molecule (Given Ligand) | CHEMBL3219203 (Similar Ligand) |
---|---|
COc1ncnc(OC)c1C(=O)Nc3nc(C(F)(F)F)c(c2ccccc2)s3 | C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccccn1 |
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 | 0003000b 00000011 80004980 10010230 01040020 08000018 40400180 310bc088 00000100 10084845 08008b04 50808001 94000808 00200201 20032003 822c0004 04020000 02002080 04200418 80200000 400a0000 08088080 60844800 10410110 23841002 8c180a01 40200440 00000064 0000401c 040e2002 40000800 3c010400 |