Compound 4
Smiles:
ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| AKT1 |
4EJN |
A |
0 |
-10.3393 |
| RARB |
4DM6 |
A |
0 |
-9.973939999999999 |
| KDM1A |
2IW5 |
A |
0 |
-9.965589999999999 |
| AIFM1 |
4LII |
A |
0 |
-9.84802 |
| NTRK1 |
4PMM |
A |
0 |
-9.81625 |
| HNMT |
2AOT |
A |
0 |
-9.80587 |
| PARP1 |
1UK0 |
A |
0 |
-9.768880000000001 |
| PARP1 |
4ZZZ |
A |
0 |
-9.58465 |
| TH |
2XSN |
D |
0 |
-9.55364 |
| ALB |
1N5U |
A |
1 |
-9.54617 |
| CLK1 |
1Z57 |
A |
0 |
-9.51223 |
| NR1H2 |
4RAK |
A |
0 |
-9.4433 |
| PAH |
1MMK |
A |
0 |
-9.43857 |
| NR1H2 |
4NQA |
I |
0 |
-9.41255 |
| B2M |
4IIQ |
C |
1 |
-9.36618 |
| PARP2 |
3KCZ |
A |
0 |
-9.3423 |
| PDE4D |
3G4I |
D |
0 |
-9.33664 |
| HPRT1 |
1BZY |
A |
0 |
-9.33159 |
| NR1H3 |
3IPQ |
A |
0 |
-9.32728 |
| CDK1 |
4Y72 |
A |
0 |
-9.32178 |
| PRKCH |
3TXO |
A |
0 |
-9.3133 |
| SERPINA5 |
3DY0 |
A |
0 |
-9.29095 |
| ESR1 |
3ERT |
A |
0 |
-9.28679 |
| NR1H4 |
4OIV |
B |
0 |
-9.25375 |
| ESR1 |
1A52 |
B |
0 |
-9.2465 |
| ABL1 |
2G2H |
A |
0 |
-9.237910000000001 |
| NT5E |
4H2I |
A |
0 |
-9.22358 |
| ACVR1 |
4C02 |
A |
0 |
-9.182839999999999 |
| TOP2A |
1ZXN |
C |
0 |
-9.17832 |
| POLQ |
4X0P |
A |
2 |
-9.16046 |
| SIRT3 |
3GLR |
A |
0 |
-9.15279 |
| PIP4K2B |
1BO1 |
A |
0 |
-9.14063 |
| KRAS |
4DSO |
A |
1 |
-9.10697 |
| ALB |
1N5U |
A |
2 |
-9.07813 |
| SULT2B1 |
1Q20 |
A |
0 |
-9.06197 |
| DDAH1 |
2JAJ |
B |
0 |
-9.04584 |
| MYO10 |
3AU4 |
A |
0 |
-9.04069 |
| NR5A2 |
4RWV |
A |
0 |
-9.01823 |
| CAT |
1DGH |
C |
1 |
-9.01591 |
| TBK1 |
4IW0 |
A |
1 |
-9.010639999999999 |
| MGLL |
3PE6 |
A |
0 |
-9.00548 |
| AGTR1 |
4YAY |
A |
0 |
-9.00365 |
| MAPK3 |
4QTB |
A |
0 |
-8.9996 |
| WARS |
1R6T |
A |
0 |
-8.976339999999999 |
| NT5C2 |
2XCW |
A |
1 |
-8.973410000000001 |
| KDM4C |
4XDO |
A |
0 |
-8.9592 |
| HINT1 |
3TW2 |
A |
0 |
-8.94308 |
| NR1H3 |
3IPU |
A |
0 |
-8.93685 |
| ACVR1 |
3H9R |
A |
0 |
-8.93552 |
| ESR1 |
2IOK |
B |
0 |
-8.90513 |
| MMP2 |
3AYU |
A |
0 |
-8.896189999999999 |
| FDFT1 |
3VJ9 |
A |
0 |
-8.87946 |
| NR1H2 |
4NQA |
B |
0 |
-8.87608 |
| SGK1 |
2R5T |
A |
0 |
-8.84839 |
| CAMKK2 |
2ZV2 |
A |
0 |
-8.840489999999999 |
| PRKAA1 |
4RER |
A |
0 |
-8.84015 |
| ABL1 |
2F4J |
A |
0 |
-8.83606 |
| IDE |
2G49 |
A |
0 |
-8.81736 |
| CA12 |
4HT2 |
A |
0 |
-8.816189999999999 |
| ITGAV |
4G1E |
A |
0 |
-8.80097 |
| MAT2B |
2YDX |
A |
0 |
-8.79089 |
| WEE1 |
1X8B |
A |
0 |
-8.78027 |
| ACADS |
2VIG |
E |
0 |
-8.77186 |
| FES |
3BKB |
A |
0 |
-8.75104 |
| ACVR1 |
3Q4U |
B |
0 |
-8.739189999999999 |
| ESR2 |
2FSZ |
B |
0 |
-8.73235 |
| PPARG |
3TY0 |
A |
0 |
-8.728530000000001 |
| TGFBR1 |
3HMM |
A |
0 |
-8.72846 |
| PLCB3 |
4GNK |
B |
0 |
-8.72285 |
| LCK |
3MPM |
A |
0 |
-8.7128 |
| PLA2G2A |
1KVO |
A |
0 |
-8.70321 |
| BTK |
4Z3V |
A |
0 |
-8.70143 |
| PHKG2 |
2Y7J |
A |
0 |
-8.70006 |
| PITPNA |
1UW5 |
A |
0 |
-8.69965 |
| RAE1 |
3MMY |
C |
1 |
-8.69308 |
| ACAD8 |
1RX0 |
A |
0 |
-8.68144 |
| PRKACA |
4WB7 |
A |
1 |
-8.67872 |
| WARS |
1R6U |
A |
0 |
-8.6692 |
| MMP2 |
1GXD |
A |
0 |
-8.66638 |
| CYP1A1 |
4I8V |
A |
0 |
-8.66437 |
| RAN |
1QBK |
C |
2 |
-8.66061 |
| ITGAV |
3IJE |
A |
0 |
-8.651010000000001 |
| BRAF |
4MNE |
B |
0 |
-8.649989999999999 |
| TTK |
4JS8 |
A |
0 |
-8.649510000000001 |
| EP300 |
4BHW |
A |
0 |
-8.64713 |
| ROCK2 |
4WOT |
B |
0 |
-8.645389999999999 |
| ECHS1 |
2HW5 |
A |
0 |
-8.624189999999999 |
| HSD17B4 |
1IKT |
A |
0 |
-8.61406 |
| CDK16 |
3MTL |
A |
0 |
-8.61172 |
| FLT4 |
4BSK |
A |
0 |
-8.60309 |
| AIM2 |
3VD8 |
A |
0 |
-8.60114 |
| ALDH1A1 |
4WP7 |
A |
0 |
-8.60047 |
| JAK2 |
4FVQ |
A |
0 |
-8.5974 |
| PLK4 |
4JXF |
A |
0 |
-8.59506 |
| NOS3 |
4D1O |
A |
0 |
-8.5863 |
| SLC2A1 |
4PYP |
A |
0 |
-8.547360000000001 |
| DHRS4 |
3O4R |
A |
0 |
-8.54306 |
| C5 |
3PVM |
A |
0 |
-8.53539 |
| PRPF4B |
4IIR |
B |
0 |
-8.50356 |
| ERO1L |
3AHR |
A |
1 |
-8.49426 |
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