Compound 17
Smiles:
CCCNC(=O)c1nnc2c(c1N)cccc2c1c(F)cccc1OC
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| TOP1 |
1RR8 |
C |
0 |
-11.48235 |
| AKR1C2 |
1XJB |
A |
0 |
-10.979439999999999 |
| VDR |
1IE9 |
A |
0 |
-10.74745 |
| KDM4C |
4XDO |
A |
0 |
-10.74117 |
| CLK1 |
1Z57 |
A |
0 |
-10.60028 |
| SERPINA5 |
3DY0 |
A |
0 |
-10.5758 |
| TYK2 |
4PO6 |
A |
0 |
-10.43091 |
| HSPA2 |
3I33 |
A |
0 |
-10.42815 |
| VDR |
3AZ3 |
A |
0 |
-10.41324 |
| CAT |
1DGH |
C |
1 |
-10.28434 |
| B2M |
4IIQ |
C |
1 |
-10.12964 |
| CDK1 |
4Y72 |
A |
0 |
-10.09633 |
| NNMT |
2IIP |
A |
0 |
-10.09051 |
| NOS3 |
3EAH |
B |
0 |
-10.04137 |
| PAH |
1MMK |
A |
0 |
-10.0209 |
| ERO1L |
3AHR |
A |
1 |
-9.95374 |
| NR1H3 |
3IPU |
A |
0 |
-9.93329 |
| ABL1 |
2FO0 |
A |
0 |
-9.9185 |
| PRKACA |
4WB7 |
A |
0 |
-9.91525 |
| MAP3K8 |
4Y85 |
A |
0 |
-9.91507 |
| TLR2 |
1FYW |
A |
0 |
-9.914489999999999 |
| AIM2 |
3VD8 |
A |
0 |
-9.8625 |
| TOP1 |
1SEU |
A |
0 |
-9.84322 |
| TOP1 |
1SC7 |
A |
0 |
-9.8114 |
| ALB |
1N5U |
A |
1 |
-9.794310000000001 |
| EGFR |
3W32 |
A |
0 |
-9.79248 |
| PFKFB3 |
2AXN |
A |
1 |
-9.79186 |
| RAD1 |
3GGR |
C |
1 |
-9.78739 |
| HNMT |
2AOT |
A |
0 |
-9.78402 |
| CRAT |
1NM8 |
A |
0 |
-9.78262 |
| HPRT1 |
1BZY |
A |
0 |
-9.74408 |
| SULT1A3 |
2A3R |
A |
0 |
-9.73653 |
| RARA |
3KMR |
A |
2 |
-9.72744 |
| GNPDA1 |
1NE7 |
A |
0 |
-9.72322 |
| AKT1 |
4EJN |
A |
0 |
-9.685789999999999 |
| MMP2 |
1CK7 |
A |
0 |
-9.678189999999999 |
| ITGA4 |
4IRZ |
A |
0 |
-9.67655 |
| CTBP2 |
2OME |
A |
0 |
-9.66788 |
| PARP1 |
4ZZZ |
A |
0 |
-9.666360000000001 |
| ADRB2 |
4GBR |
A |
0 |
-9.6534 |
| GMDS |
1T2A |
A |
0 |
-9.64344 |
| SMYD3 |
3PDN |
A |
0 |
-9.60933 |
| HSD17B4 |
1ZBQ |
A |
0 |
-9.59424 |
| SGK1 |
2R5T |
A |
0 |
-9.57665 |
| KDM1A |
2IW5 |
A |
0 |
-9.57543 |
| ALB |
1N5U |
A |
4 |
-9.57155 |
| RIPK1 |
4ITJ |
B |
0 |
-9.57033 |
| ACAD8 |
1RX0 |
A |
0 |
-9.5678 |
| MAT2B |
2YDX |
A |
0 |
-9.55365 |
| NT5E |
4H2I |
A |
0 |
-9.53697 |
| CDK2 |
4GCJ |
A |
0 |
-9.52921 |
| RAMP1 |
4RWG |
B |
0 |
-9.50486 |
| NR1H4 |
3OKI |
A |
0 |
-9.49751 |
| RPS6KA3 |
4NW5 |
A |
0 |
-9.48564 |
| POLG |
3IKM |
D |
4 |
-9.47608 |
| IKBKB |
4KIK |
B |
2 |
-9.47133 |
| CAT |
1DGH |
C |
0 |
-9.466619999999999 |
| PTPRF |
1LAR |
A |
0 |
-9.44028 |
| CANT1 |
1S18 |
A |
0 |
-9.4353 |
| NMT1 |
3IU1 |
B |
0 |
-9.42637 |
| C5 |
3PVM |
A |
0 |
-9.425989999999999 |
| ALB |
4K71 |
A |
3 |
-9.42274 |
| POLG |
3IKM |
D |
3 |
-9.41445 |
| DHRS4 |
3O4R |
A |
0 |
-9.41188 |
| PDPK1 |
3QC4 |
B |
0 |
-9.40524 |
| EIF2AK3 |
4X7K |
A |
0 |
-9.39856 |
| ABL1 |
2F4J |
A |
0 |
-9.395560000000001 |
| NAT1 |
2PQT |
A |
0 |
-9.35709 |
| ACADSB |
2JIF |
A |
0 |
-9.34795 |
| EPRS |
4HVC |
B |
0 |
-9.34698 |
| AP1B1 |
4HMY |
B |
3 |
-9.33793 |
| NTRK1 |
4PMM |
A |
0 |
-9.33355 |
| PDE4D |
3G58 |
D |
0 |
-9.33102 |
| FLT4 |
4BSK |
A |
0 |
-9.323210000000001 |
| F2 |
3P6Z |
B |
0 |
-9.31431 |
| CYP1A1 |
4I8V |
A |
0 |
-9.3087 |
| RARB |
4DM6 |
A |
0 |
-9.2982 |
| ACADS |
2VIG |
E |
0 |
-9.28955 |
| CCNB1 |
4Y72 |
B |
0 |
-9.275030000000001 |
| NOS3 |
4D1O |
A |
0 |
-9.27305 |
| CBS |
4COO |
A |
0 |
-9.27243 |
| LCK |
3MPM |
A |
0 |
-9.2716 |
| TH |
2XSN |
D |
0 |
-9.26192 |
| SERPINA5 |
3DY0 |
A |
1 |
-9.26147 |
| ACVR1 |
3H9R |
A |
0 |
-9.251539999999999 |
| F7 |
1DVA |
L |
0 |
-9.25066 |
| NR1H4 |
4OIV |
B |
0 |
-9.23498 |
| GNE |
2YHW |
A |
0 |
-9.22631 |
| SIRT3 |
3GLR |
A |
0 |
-9.222380000000001 |
| NR3C1 |
4P6W |
A |
0 |
-9.218639999999999 |
| TNKS2 |
4HYF |
A |
0 |
-9.21857 |
| KIF11 |
4BXN |
A |
0 |
-9.21113 |
| SUFU |
4KMD |
A |
0 |
-9.205910000000001 |
| IDE |
2G49 |
A |
0 |
-9.19777 |
| WEE1 |
1X8B |
A |
0 |
-9.19721 |
| ALB |
1N5U |
A |
0 |
-9.19326 |
| GCDH |
1SIQ |
A |
0 |
-9.19325 |
| RALA |
1ZC3 |
A |
0 |
-9.19008 |
| NAE1 |
2NVU |
A |
1 |
-9.18828 |
| EGLN1 |
4UWD |
A |
0 |
-9.18657 |
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