Compound 18
Smiles:
OC[C@H](CC1(CC1)S(=O)(=O)Nc1c(OC)cc(c(c1Nc1ccc(cc1F)I)F)F)O
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| KDM4C |
4XDO |
A |
0 |
-10.75949 |
| HPRT1 |
1BZY |
A |
0 |
-10.72153 |
| TYK2 |
4PO6 |
A |
0 |
-10.27919 |
| HINT1 |
3TW2 |
A |
0 |
-10.181280000000001 |
| CHEK2 |
2YCF |
A |
1 |
-10.16785 |
| ACADSB |
2JIF |
A |
0 |
-10.15576 |
| PARP1 |
4ZZZ |
A |
0 |
-10.11101 |
| ACADS |
2VIG |
E |
0 |
-10.09005 |
| ACAD8 |
1RX0 |
A |
0 |
-9.95779 |
| PARP1 |
1UK0 |
A |
0 |
-9.89684 |
| AP1B1 |
4HMY |
B |
0 |
-9.86687 |
| MLH1 |
4P7A |
A |
0 |
-9.863339999999999 |
| NT5C2 |
2XCW |
A |
1 |
-9.74243 |
| DDAH1 |
2JAJ |
B |
0 |
-9.70195 |
| SGK1 |
2R5T |
A |
0 |
-9.67473 |
| TOP2A |
1ZXN |
C |
0 |
-9.61599 |
| EP300 |
4BHW |
A |
0 |
-9.60331 |
| PFKFB3 |
2AXN |
A |
1 |
-9.600539999999999 |
| AKT1 |
4EJN |
A |
0 |
-9.594710000000001 |
| ADRB2 |
4GBR |
A |
0 |
-9.58612 |
| PARP2 |
3KCZ |
A |
0 |
-9.571 |
| PARP1 |
4DQY |
C |
0 |
-9.55976 |
| NMT1 |
3IU1 |
B |
0 |
-9.54814 |
| PAH |
1MMK |
A |
0 |
-9.53932 |
| CBR1 |
1WMA |
A |
0 |
-9.518289999999999 |
| HNMT |
2AOT |
A |
0 |
-9.49318 |
| KDM5B |
5A3N |
A |
1 |
-9.48363 |
| TOP2A |
1ZXM |
B |
0 |
-9.47927 |
| SERPINA5 |
3DY0 |
A |
0 |
-9.46185 |
| GMDS |
1T2A |
A |
0 |
-9.4598 |
| TGFBR1 |
2WOT |
A |
0 |
-9.45387 |
| KDM1A |
2IW5 |
A |
0 |
-9.44587 |
| ALB |
1N5U |
A |
1 |
-9.43666 |
| NOS3 |
3EAH |
B |
0 |
-9.42459 |
| GCDH |
1SIQ |
A |
0 |
-9.42053 |
| TRAP1 |
4Z1I |
B |
0 |
-9.41178 |
| KDM5B |
5A3N |
A |
0 |
-9.402330000000001 |
| TLE1 |
1GXR |
A |
0 |
-9.38743 |
| AKR1C2 |
1XJB |
A |
0 |
-9.383230000000001 |
| CDK1 |
4Y72 |
A |
0 |
-9.37898 |
| TNKS2 |
4HYF |
A |
0 |
-9.37624 |
| WARS |
1R6U |
A |
0 |
-9.368210000000001 |
| GSS |
2HGS |
A |
0 |
-9.36777 |
| PCSK9 |
2P4E |
A |
1 |
-9.3621 |
| KEAP1 |
3VNG |
A |
0 |
-9.35977 |
| LDLR |
1IJQ |
A |
0 |
-9.3554 |
| ODC1 |
2OO0 |
A |
0 |
-9.353010000000001 |
| CAMKK2 |
2ZV2 |
A |
0 |
-9.3437 |
| B2M |
4IIQ |
C |
1 |
-9.33045 |
| ERBB3 |
3KEX |
A |
0 |
-9.325380000000001 |
| TOP1 |
1RR8 |
C |
0 |
-9.31565 |
| KIF11 |
4BXN |
A |
0 |
-9.302019999999999 |
| ITGA4 |
4IRZ |
A |
0 |
-9.29715 |
| SPR |
1Z6Z |
A |
0 |
-9.275260000000001 |
| EGLN1 |
4UWD |
A |
0 |
-9.27287 |
| KARS |
3BJU |
A |
0 |
-9.26398 |
| ITGAV |
3IJE |
A |
0 |
-9.257639999999999 |
| WARS |
1R6T |
A |
0 |
-9.239889999999999 |
| GNPDA1 |
1NE7 |
A |
0 |
-9.239230000000001 |
| TGFBR1 |
3HMM |
A |
0 |
-9.22364 |
| PHKG2 |
2Y7J |
A |
0 |
-9.22252 |
| MUT |
2XIQ |
A |
0 |
-9.22189 |
| WARS |
1ULH |
B |
0 |
-9.20074 |
| MAT2B |
4KTV |
E |
0 |
-9.19909 |
| ALB |
1N5U |
A |
0 |
-9.197610000000001 |
| POLQ |
5AGA |
A |
0 |
-9.19703 |
| GSR |
3DJJ |
A |
0 |
-9.18326 |
| C5 |
4A5W |
A |
1 |
-9.17988 |
| LTA4H |
1HS6 |
A |
0 |
-9.17987 |
| LCK |
3MPM |
A |
0 |
-9.17656 |
| NOS3 |
4D1O |
A |
0 |
-9.1764 |
| KDM4B |
4LXL |
A |
0 |
-9.17365 |
| NR1H2 |
4NQA |
I |
0 |
-9.16938 |
| SLC2A1 |
4PYP |
A |
0 |
-9.164439999999999 |
| VDR |
1IE9 |
A |
0 |
-9.15745 |
| PTPRF |
1LAR |
A |
0 |
-9.15255 |
| CYP1A1 |
4I8V |
A |
0 |
-9.14723 |
| SULT2B1 |
1Q20 |
A |
0 |
-9.13269 |
| KEAP1 |
1U6D |
X |
0 |
-9.13212 |
| PDE4D |
1OYN |
A |
0 |
-9.12767 |
| VDR |
3AZ3 |
A |
0 |
-9.11086 |
| PIM1 |
3F2A |
A |
0 |
-9.108460000000001 |
| C5 |
3PVM |
A |
0 |
-9.10765 |
| SIRT3 |
3GLR |
A |
0 |
-9.10475 |
| POLG |
3IKM |
D |
2 |
-9.10196 |
| NTRK1 |
4PMM |
A |
0 |
-9.09999 |
| CANT1 |
1S18 |
A |
0 |
-9.09705 |
| CCNB1 |
4Y72 |
B |
0 |
-9.09558 |
| PIK3CG |
3IBE |
A |
0 |
-9.09492 |
| TKT |
4KXV |
A |
1 |
-9.0877 |
| RAMP1 |
4RWG |
B |
0 |
-9.08228 |
| NR1H4 |
3OKI |
A |
0 |
-9.08148 |
| EGFR |
3W32 |
A |
0 |
-9.08123 |
| TOP1 |
1SC7 |
A |
0 |
-9.07858 |
| ERBB4 |
2R4B |
A |
0 |
-9.07806 |
| TOP1 |
1SEU |
A |
0 |
-9.07273 |
| PIP4K2B |
1BO1 |
A |
0 |
-9.068389999999999 |
| EPRS |
4HVC |
B |
0 |
-9.061010000000001 |
| ALB |
1N5U |
A |
4 |
-9.0538 |
| ALDH5A1 |
2W8N |
A |
0 |
-9.04493 |
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