Compound 32
Smiles:
COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)N(COP(=O)(O)O)C(=O)C(O3)(C)C)F)cc(c1OC)OC
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| GGT1 |
4GDX |
B |
0 |
-11.50792 |
| HINT1 |
3TW2 |
A |
0 |
-11.465530000000001 |
| PYGL |
3DDS |
A |
0 |
-11.4596 |
| MAPK8 |
4QTD |
A |
0 |
-11.44474 |
| TOP1 |
1RR8 |
C |
0 |
-11.427019999999999 |
| GNPDA1 |
1NE7 |
A |
0 |
-11.40627 |
| CYP1A1 |
4I8V |
A |
0 |
-11.34568 |
| NMT1 |
3IU1 |
B |
0 |
-11.28015 |
| GMDS |
1T2A |
A |
0 |
-11.27241 |
| CDK1 |
4Y72 |
A |
0 |
-11.2294 |
| PARP1 |
1UK0 |
A |
0 |
-11.1942 |
| DHRS4 |
3O4R |
A |
0 |
-11.12539 |
| EPRS |
4HVC |
B |
0 |
-11.097669999999999 |
| MGLL |
3PE6 |
A |
0 |
-11.0423 |
| AKR7A2 |
2BP1 |
A |
0 |
-11.03691 |
| TOP1 |
1SC7 |
A |
0 |
-11.02705 |
| AKT1 |
4EJN |
A |
0 |
-11.000739999999999 |
| PCSK9 |
2P4E |
A |
0 |
-10.9639 |
| KDM1A |
2IW5 |
A |
0 |
-10.94529 |
| SERPINA5 |
3DY0 |
A |
0 |
-10.89436 |
| TH |
2XSN |
D |
0 |
-10.88294 |
| RRM1 |
3HNC |
B |
0 |
-10.861360000000001 |
| EP300 |
4PZS |
A |
0 |
-10.85882 |
| PARP1 |
4ZZZ |
A |
0 |
-10.858089999999999 |
| NNT |
1DJL |
A |
0 |
-10.84342 |
| ITGA4 |
4IRZ |
A |
0 |
-10.81909 |
| GNE |
2YHW |
A |
0 |
-10.81855 |
| WARS |
1R6U |
A |
0 |
-10.81451 |
| PCSK9 |
2P4E |
A |
1 |
-10.79195 |
| TF |
1FQE |
A |
0 |
-10.76385 |
| KEAP1 |
3VNG |
A |
0 |
-10.763819999999999 |
| WARS |
1R6T |
A |
0 |
-10.752419999999999 |
| PCSK9 |
3P5C |
A |
0 |
-10.74235 |
| PARP2 |
3KCZ |
A |
0 |
-10.7399 |
| TYK2 |
4PO6 |
A |
0 |
-10.73898 |
| NT5E |
4H2I |
A |
0 |
-10.72697 |
| ALB |
1N5U |
A |
0 |
-10.7021 |
| SULT2B1 |
1Q20 |
A |
0 |
-10.69727 |
| TOP1 |
1SEU |
A |
0 |
-10.68333 |
| DCXR |
1PR9 |
A |
0 |
-10.68333 |
| MAT2B |
2YDX |
A |
0 |
-10.67866 |
| ALB |
1N5U |
A |
1 |
-10.67313 |
| DTYMK |
1E2F |
A |
0 |
-10.66221 |
| AIFM1 |
4LII |
A |
0 |
-10.65895 |
| WARS |
1ULH |
B |
0 |
-10.65573 |
| KARS |
3BJU |
A |
0 |
-10.6471 |
| JMJD6 |
3K2O |
B |
0 |
-10.61856 |
| PITPNA |
1UW5 |
A |
0 |
-10.58557 |
| PARP1 |
4DQY |
C |
0 |
-10.561760000000001 |
| HPGD |
2GDZ |
A |
0 |
-10.56053 |
| CAT |
1DGH |
C |
1 |
-10.55762 |
| NNT |
1PT9 |
A |
0 |
-10.556230000000001 |
| WEE1 |
1X8B |
A |
0 |
-10.520610000000001 |
| CBR1 |
1WMA |
A |
0 |
-10.48979 |
| NR1H3 |
3IPU |
A |
0 |
-10.48606 |
| ME2 |
1GZ3 |
A |
0 |
-10.48232 |
| PAH |
2PAH |
A |
0 |
-10.47994 |
| IKBKB |
4E3C |
B |
1 |
-10.47793 |
| PIK3CG |
1E8Y |
A |
0 |
-10.47692 |
| ACVR1 |
4C02 |
A |
0 |
-10.47403 |
| PYGL |
1FA9 |
A |
0 |
-10.47039 |
| MLST8 |
4JSN |
C |
0 |
-10.47007 |
| FGFR3 |
4K33 |
A |
0 |
-10.46614 |
| GCK |
4DCH |
A |
0 |
-10.46608 |
| CRAT |
1NM8 |
A |
0 |
-10.4592 |
| MAT2B |
4KTV |
E |
0 |
-10.456710000000001 |
| SLC2A1 |
4PYP |
A |
0 |
-10.44011 |
| PPARG |
3E00 |
D |
0 |
-10.43621 |
| NMRAL1 |
2WM3 |
A |
0 |
-10.43079 |
| SIRT1 |
4KXQ |
A |
0 |
-10.425360000000001 |
| GSR |
3DJJ |
A |
0 |
-10.42145 |
| AKR1C2 |
1XJB |
A |
0 |
-10.40962 |
| PIK3CG |
3IBE |
A |
0 |
-10.40584 |
| B2M |
4IIQ |
C |
1 |
-10.397969999999999 |
| ADRB2 |
4GBR |
A |
0 |
-10.38572 |
| NOS3 |
3EAH |
B |
0 |
-10.38513 |
| ETFB |
1EFV |
B |
0 |
-10.383510000000001 |
| IDE |
2G49 |
A |
0 |
-10.37963 |
| SPR |
1Z6Z |
A |
0 |
-10.375739999999999 |
| ACACA |
2YL2 |
B |
0 |
-10.35443 |
| KDM4C |
4XDO |
A |
0 |
-10.34919 |
| DDAH1 |
2JAJ |
B |
0 |
-10.342039999999999 |
| GSS |
2HGS |
A |
0 |
-10.337589999999999 |
| TXNRD1 |
3QFB |
A |
0 |
-10.33726 |
| GCDH |
1SIQ |
A |
0 |
-10.30845 |
| ITGAV |
4G1E |
A |
0 |
-10.30303 |
| ERBB2 |
3N85 |
A |
0 |
-10.29645 |
| AKT1 |
4EKL |
A |
0 |
-10.294880000000001 |
| ERBB2 |
2A91 |
A |
0 |
-10.29075 |
| PTGR1 |
1ZSV |
A |
0 |
-10.25869 |
| CXCR4 |
3OE6 |
A |
0 |
-10.25728 |
| IKBKB |
4E3C |
B |
0 |
-10.23518 |
| AIM2 |
3VD8 |
A |
0 |
-10.21873 |
| KDM5B |
5A3N |
A |
0 |
-10.21716 |
| PPARG |
3TY0 |
A |
0 |
-10.21526 |
| AKR1B1 |
3RX2 |
A |
0 |
-10.20387 |
| GUSB |
3HN3 |
B |
0 |
-10.20353 |
| PIK3CG |
3ML9 |
A |
0 |
-10.20133 |
| PPARA |
2P54 |
A |
0 |
-10.19904 |
| NAA50 |
2OB0 |
C |
0 |
-10.19788 |
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