Compound 39
Smiles:
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)C/C=C/c1ccccc1
Current docking status:
Idle
Top 100 Predicted Targets
Gene |
Pdb |
Chain |
Pocket |
Score |
ALB |
1N5U |
A |
1 |
-12.1116 |
TNKS2 |
4HYF |
A |
0 |
-11.86935 |
CYP1A1 |
4I8V |
A |
0 |
-11.76373 |
ALB |
1N5U |
A |
2 |
-11.583260000000001 |
HPRT1 |
1BZY |
A |
0 |
-11.56962 |
NR1H3 |
3IPQ |
A |
0 |
-11.49112 |
NR1H2 |
4NQA |
B |
0 |
-11.46515 |
NMT1 |
3IU1 |
B |
0 |
-11.46022 |
TYK2 |
4PO6 |
A |
0 |
-11.37824 |
AKR1C2 |
1XJB |
A |
0 |
-11.3308 |
RXRA |
2ACL |
C |
0 |
-11.31892 |
BCL2L1 |
3SP7 |
A |
0 |
-11.316510000000001 |
PARP1 |
4ZZZ |
A |
0 |
-11.2861 |
GCK |
4DCH |
A |
1 |
-11.2755 |
HNMT |
2AOT |
A |
0 |
-11.259960000000001 |
CA12 |
4HT2 |
A |
0 |
-11.251660000000001 |
RXRA |
4NQA |
H |
0 |
-11.24853 |
TLR2 |
2Z7X |
A |
0 |
-11.173680000000001 |
PARP1 |
1UK0 |
A |
0 |
-11.16353 |
NR1H2 |
4NQA |
I |
0 |
-11.129380000000001 |
ADRB2 |
4GBR |
A |
0 |
-11.092419999999999 |
NOS3 |
4D1O |
A |
0 |
-11.08055 |
NR1H4 |
4OIV |
B |
0 |
-11.0631 |
SERPINA5 |
3DY0 |
A |
0 |
-11.03112 |
AKT1 |
4EJN |
A |
0 |
-10.976939999999999 |
LTA4H |
1HS6 |
A |
0 |
-10.96288 |
ERBB2 |
3PP0 |
B |
0 |
-10.96097 |
NR1H4 |
3OKI |
A |
0 |
-10.95878 |
PITPNA |
1UW5 |
A |
0 |
-10.9546 |
ECI1 |
1SG4 |
B |
0 |
-10.91858 |
PARP2 |
3KCZ |
A |
0 |
-10.897639999999999 |
DHRS4 |
3O4R |
A |
0 |
-10.89387 |
NOS3 |
3EAH |
B |
0 |
-10.89141 |
SMYD3 |
3PDN |
A |
0 |
-10.88739 |
MAPK3 |
4QTB |
A |
0 |
-10.85803 |
MAPK14 |
1YQJ |
A |
0 |
-10.85183 |
ALB |
1N5U |
A |
4 |
-10.839310000000001 |
PDPK1 |
3QC4 |
B |
0 |
-10.8101 |
PAH |
1MMK |
A |
0 |
-10.80365 |
SIRT1 |
4KXQ |
A |
0 |
-10.79927 |
MGLL |
3PE6 |
A |
0 |
-10.77629 |
TH |
2XSN |
D |
0 |
-10.74698 |
NR1H2 |
4RAK |
A |
0 |
-10.72754 |
CLK1 |
1Z57 |
A |
0 |
-10.72472 |
NR1D2 |
4N73 |
A |
0 |
-10.72214 |
AP1B1 |
4HMY |
B |
0 |
-10.70698 |
CDK1 |
4Y72 |
A |
0 |
-10.700280000000001 |
CAT |
1DGH |
C |
1 |
-10.6992 |
ITGAV |
3IJE |
A |
0 |
-10.69839 |
AIFM1 |
4LII |
A |
0 |
-10.69068 |
CASK |
3MFR |
A |
0 |
-10.68528 |
SULT1A3 |
2A3R |
A |
0 |
-10.66442 |
NR5A2 |
4RWV |
A |
0 |
-10.65934 |
AKR1B1 |
3RX2 |
A |
0 |
-10.651810000000001 |
RARB |
4DM8 |
B |
1 |
-10.651489999999999 |
TGFBR1 |
2WOT |
A |
0 |
-10.64968 |
AIM2 |
3VD8 |
A |
0 |
-10.625589999999999 |
SERPINA5 |
3DY0 |
A |
1 |
-10.62547 |
TRAP1 |
4Z1F |
A |
0 |
-10.592839999999999 |
EPRS |
4HVC |
B |
0 |
-10.5879 |
MAPK8 |
4QTD |
A |
0 |
-10.58104 |
GNPDA1 |
1NE7 |
A |
0 |
-10.579830000000001 |
PRCP |
3N2Z |
B |
0 |
-10.57692 |
NTRK1 |
4PMM |
A |
0 |
-10.569180000000001 |
HINT1 |
3TW2 |
A |
0 |
-10.56038 |
ULK1 |
5CI7 |
A |
0 |
-10.55765 |
VDR |
3AZ3 |
A |
0 |
-10.55256 |
PYGL |
1FA9 |
A |
0 |
-10.54159 |
KIF11 |
4BXN |
A |
0 |
-10.53867 |
ALDH1A1 |
4WP7 |
A |
0 |
-10.53053 |
WARS |
1R6U |
A |
0 |
-10.53022 |
POLQ |
5AGA |
A |
2 |
-10.51794 |
KDM5B |
5A3N |
A |
0 |
-10.51188 |
HPGD |
2GDZ |
A |
0 |
-10.51104 |
PDE4D |
3G58 |
D |
0 |
-10.50255 |
MUT |
2XIQ |
A |
0 |
-10.49483 |
TGFBR1 |
3HMM |
A |
0 |
-10.49105 |
ESR1 |
2IOK |
B |
0 |
-10.489939999999999 |
GM2A |
1PU5 |
A |
0 |
-10.47907 |
LIG3 |
3L2P |
A |
0 |
-10.470289999999999 |
PLK4 |
4JXF |
A |
0 |
-10.44955 |
ITGAV |
4G1E |
A |
0 |
-10.443810000000001 |
QPCT |
4YWY |
A |
0 |
-10.44311 |
SLC2A1 |
4PYP |
A |
0 |
-10.43528 |
CAPNS1 |
4PHJ |
A |
0 |
-10.43384 |
FGFR3 |
4K33 |
A |
0 |
-10.4325 |
NT5E |
4H2I |
A |
0 |
-10.42056 |
MLH1 |
4P7A |
A |
0 |
-10.41805 |
DLD |
1ZMC |
D |
0 |
-10.41642 |
NR3C1 |
4P6W |
A |
0 |
-10.41297 |
PRKCH |
3TXO |
A |
0 |
-10.40099 |
KDM1A |
2IW5 |
A |
0 |
-10.38742 |
CDK6 |
1G3N |
A |
0 |
-10.38529 |
GCDH |
1SIQ |
A |
0 |
-10.38315 |
NR3C1 |
3H52 |
B |
0 |
-10.37701 |
ROCK2 |
4WOT |
B |
0 |
-10.37434 |
KDR |
3EWH |
A |
0 |
-10.35412 |
RARG |
1EXA |
A |
0 |
-10.33625 |
DTYMK |
1E2F |
A |
0 |
-10.32194 |
RET |
4CKJ |
A |
0 |
-10.32054 |