Compound 21
Smiles:
COc1nc(C)cnc1NS(=O)(=O)c1cccnc1c1ccc(cc1)c1nnco1
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| HPRT1 |
1BZY |
A |
0 |
-11.31042 |
| PYGL |
3DDS |
A |
0 |
-11.238480000000001 |
| GMDS |
1T2A |
A |
0 |
-11.1171 |
| KDM4C |
4XDO |
A |
0 |
-11.069360000000001 |
| CHEK2 |
2YCF |
A |
1 |
-11.021230000000001 |
| TOP1 |
1RR8 |
C |
0 |
-10.946760000000001 |
| PFKFB3 |
2AXN |
A |
1 |
-10.90588 |
| TOP2A |
1ZXM |
B |
0 |
-10.860380000000001 |
| ALDH1A1 |
4WP7 |
A |
0 |
-10.72589 |
| KDM1A |
2IW5 |
A |
0 |
-10.72564 |
| HINT1 |
3TW2 |
A |
0 |
-10.53205 |
| ITGA4 |
4IRZ |
A |
0 |
-10.526019999999999 |
| RALA |
1ZC3 |
A |
0 |
-10.4854 |
| GSR |
3DJJ |
A |
0 |
-10.40583 |
| PAH |
1MMK |
A |
0 |
-10.3929 |
| NR1H2 |
4NQA |
I |
0 |
-10.37042 |
| PARP1 |
4ZZZ |
A |
0 |
-10.3534 |
| CTBP2 |
2OME |
A |
0 |
-10.346210000000001 |
| HSPA2 |
3I33 |
A |
0 |
-10.320730000000001 |
| CYP1A1 |
4I8V |
A |
0 |
-10.32035 |
| TNKS2 |
4HYF |
A |
0 |
-10.31369 |
| TRAP1 |
4Z1I |
B |
0 |
-10.29909 |
| AKR1C2 |
1XJB |
A |
0 |
-10.27849 |
| NR1H3 |
3IPU |
A |
0 |
-10.2662 |
| TNIK |
2X7F |
B |
0 |
-10.24315 |
| ERBB2 |
3N85 |
A |
0 |
-10.23877 |
| DHRS4 |
3O4R |
A |
0 |
-10.23847 |
| NNT |
1PT9 |
A |
0 |
-10.2369 |
| SULT1A3 |
2A3R |
A |
0 |
-10.22768 |
| NOS3 |
4D1O |
A |
0 |
-10.22696 |
| NNT |
1DJL |
A |
0 |
-10.2227 |
| NOS3 |
3EAH |
B |
0 |
-10.221960000000001 |
| CDK1 |
4Y72 |
A |
0 |
-10.203660000000001 |
| WARS |
1R6U |
A |
0 |
-10.19994 |
| AIFM1 |
4LII |
A |
0 |
-10.19183 |
| CASK |
3MFR |
A |
0 |
-10.18993 |
| WARS |
1R6T |
A |
0 |
-10.16803 |
| SERPINB2 |
2ARQ |
A |
0 |
-10.16056 |
| SERPINA5 |
3DY0 |
A |
0 |
-10.16036 |
| PARP2 |
3KCZ |
A |
0 |
-10.15134 |
| VDR |
3AZ3 |
A |
0 |
-10.151060000000001 |
| NR1H3 |
3IPQ |
A |
0 |
-10.14648 |
| MLH1 |
4P7A |
A |
0 |
-10.133410000000001 |
| GGT1 |
4GDX |
B |
0 |
-10.13107 |
| TOP1 |
1SEU |
A |
0 |
-10.125639999999999 |
| RAB5A |
1N6O |
A |
1 |
-10.1244 |
| EPRS |
4HVC |
B |
0 |
-10.122589999999999 |
| B2M |
4IIQ |
C |
1 |
-10.11813 |
| PTPRF |
1LAR |
A |
0 |
-10.10399 |
| MAT2B |
2YDX |
A |
0 |
-10.098419999999999 |
| PARP1 |
1UK0 |
A |
0 |
-10.05103 |
| VDR |
1IE9 |
A |
0 |
-10.04572 |
| CAT |
1DGH |
C |
1 |
-10.04486 |
| TYK2 |
4PO6 |
A |
0 |
-10.0435 |
| AK1 |
1Z83 |
B |
0 |
-10.02865 |
| TKT |
4KXV |
A |
1 |
-10.02445 |
| NTRK1 |
4PMM |
A |
0 |
-10.005230000000001 |
| NAT1 |
2PQT |
A |
0 |
-9.99796 |
| HSD17B4 |
1IKT |
A |
0 |
-9.99564 |
| PPARG |
3E00 |
D |
0 |
-9.99059 |
| ABL1 |
2G2H |
A |
0 |
-9.9903 |
| ALB |
1N5U |
A |
1 |
-9.98961 |
| EGLN1 |
4UWD |
A |
0 |
-9.98808 |
| KIF11 |
4BXN |
A |
0 |
-9.97562 |
| GMPR2 |
2C6Q |
B |
0 |
-9.97078 |
| TGFBR1 |
2WOT |
A |
0 |
-9.95866 |
| CFD |
2XW9 |
A |
0 |
-9.94536 |
| CAT |
1DGH |
C |
0 |
-9.94196 |
| DDAH1 |
2JAJ |
B |
0 |
-9.93667 |
| AKT1 |
4EJN |
A |
0 |
-9.91807 |
| KDM5B |
5A3N |
A |
0 |
-9.908660000000001 |
| MGLL |
3PE6 |
A |
0 |
-9.889439999999999 |
| EP300 |
4BHW |
A |
0 |
-9.88902 |
| CRYZ |
1YB5 |
A |
0 |
-9.87865 |
| ACVR1 |
3Q4U |
B |
0 |
-9.87524 |
| POLQ |
4X0P |
A |
0 |
-9.84652 |
| CDK4 |
2W99 |
B |
0 |
-9.83848 |
| NRAS |
3CON |
A |
0 |
-9.83811 |
| TJP1 |
3TSZ |
A |
0 |
-9.83792 |
| AKR1B1 |
3RX2 |
A |
0 |
-9.83504 |
| PCSK9 |
2P4E |
A |
1 |
-9.82347 |
| GGCT |
3CRY |
A |
0 |
-9.81888 |
| ERBB3 |
3KEX |
A |
0 |
-9.81654 |
| LTA4H |
1HS6 |
A |
0 |
-9.815610000000001 |
| AP1B1 |
4HMY |
B |
0 |
-9.80844 |
| MMP2 |
3AYU |
A |
0 |
-9.791160000000001 |
| NMT1 |
3IU1 |
B |
0 |
-9.77489 |
| IMPDH2 |
1NF7 |
A |
0 |
-9.76372 |
| PCSK9 |
2P4E |
A |
0 |
-9.75967 |
| LIG1 |
1X9N |
A |
1 |
-9.75812 |
| IMPDH1 |
1JCN |
A |
0 |
-9.7553 |
| TARS |
4HWT |
B |
0 |
-9.73583 |
| HAT1 |
2P0W |
A |
0 |
-9.72875 |
| PLA2G15 |
4X90 |
A |
0 |
-9.72743 |
| SIRT1 |
4KXQ |
A |
0 |
-9.71313 |
| AIM2 |
3VD8 |
A |
0 |
-9.71272 |
| BTK |
4Z3V |
A |
0 |
-9.71181 |
| LIG1 |
1X9N |
A |
2 |
-9.70006 |
| CBR1 |
1WMA |
A |
0 |
-9.691139999999999 |
| ASS1 |
2NZ2 |
A |
0 |
-9.68919 |
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