Compound 24
Smiles:
C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| TOP1 |
1RR8 |
C |
0 |
-12.44353 |
| TOP1 |
1SEU |
A |
0 |
-12.31333 |
| AKR1C2 |
1XJB |
A |
0 |
-12.239130000000001 |
| ALB |
1N5U |
A |
1 |
-12.15777 |
| ALB |
1N5U |
A |
4 |
-12.02644 |
| KDM1A |
2IW5 |
A |
0 |
-11.983319999999999 |
| NMT1 |
3IU1 |
B |
0 |
-11.72478 |
| ADRB2 |
4GBR |
A |
0 |
-11.63883 |
| KDM4C |
4XDO |
A |
0 |
-11.569280000000001 |
| KEAP1 |
1U6D |
X |
0 |
-11.553889999999999 |
| MUT |
2XIQ |
A |
0 |
-11.53733 |
| HNMT |
2AOT |
A |
0 |
-11.50868 |
| SERPINA5 |
3DY0 |
A |
0 |
-11.409510000000001 |
| MAT2B |
2YDX |
A |
0 |
-11.383980000000001 |
| ACADSB |
2JIF |
A |
0 |
-11.38095 |
| GCDH |
1SIQ |
A |
0 |
-11.35362 |
| MGLL |
3PE6 |
A |
0 |
-11.346960000000001 |
| TH |
2XSN |
D |
0 |
-11.340860000000001 |
| AKT1 |
4EJN |
A |
0 |
-11.33761 |
| KEAP1 |
3VNG |
A |
0 |
-11.33602 |
| LTA4H |
1HS6 |
A |
0 |
-11.24555 |
| CDK1 |
4Y72 |
A |
0 |
-11.24231 |
| PARP2 |
3KCZ |
A |
0 |
-11.24168 |
| ITGA4 |
4IRZ |
A |
0 |
-11.21793 |
| NOS3 |
3EAH |
B |
0 |
-11.21562 |
| PDE4D |
3G58 |
D |
0 |
-11.20332 |
| GGT1 |
4GDX |
B |
0 |
-11.15584 |
| ACVR1 |
4C02 |
A |
0 |
-11.1491 |
| NOS3 |
4D1O |
A |
0 |
-11.14451 |
| CLK1 |
1Z57 |
A |
0 |
-11.11011 |
| TLE1 |
1GXR |
A |
0 |
-11.105889999999999 |
| MAPK8 |
4QTD |
A |
0 |
-11.10368 |
| ERO1L |
3AHR |
A |
1 |
-11.07705 |
| CYP1A1 |
4I8V |
A |
0 |
-11.07297 |
| DHRS4 |
3O4R |
A |
0 |
-11.01022 |
| ACAD8 |
1RX0 |
A |
0 |
-11.00145 |
| KIF11 |
4BXN |
A |
0 |
-10.972010000000001 |
| CHEK2 |
2YCF |
A |
1 |
-10.95839 |
| HINT1 |
3TW2 |
A |
0 |
-10.936539999999999 |
| GNB1 |
3CIK |
B |
0 |
-10.93257 |
| SLC2A1 |
4PYP |
A |
0 |
-10.922 |
| CRABP2 |
1CBS |
A |
0 |
-10.88345 |
| ACADS |
2VIG |
E |
0 |
-10.84586 |
| ITGAV |
3IJE |
A |
0 |
-10.83629 |
| PPARG |
3E00 |
D |
0 |
-10.81287 |
| PTGR1 |
1ZSV |
A |
0 |
-10.808530000000001 |
| SERPINC1 |
2ZNH |
B |
0 |
-10.80464 |
| CRYZ |
1YB5 |
A |
0 |
-10.787180000000001 |
| PARP1 |
4DQY |
C |
0 |
-10.77736 |
| UGDH |
2Q3E |
A |
0 |
-10.7632 |
| AIM2 |
3VD8 |
A |
0 |
-10.753860000000001 |
| TNKS2 |
4HYF |
A |
0 |
-10.75114 |
| ERBB2 |
3N85 |
A |
0 |
-10.73772 |
| DDAH1 |
2JAJ |
B |
0 |
-10.69427 |
| CAT |
1DGH |
C |
1 |
-10.68243 |
| CRAT |
1NM8 |
A |
0 |
-10.67463 |
| PDPK1 |
3QC4 |
B |
0 |
-10.66082 |
| ITGAV |
4G1E |
A |
0 |
-10.65894 |
| GMDS |
1T2A |
A |
0 |
-10.65667 |
| GNE |
2YHW |
A |
0 |
-10.64214 |
| B2M |
4IIQ |
C |
1 |
-10.63877 |
| NT5E |
4H2I |
A |
0 |
-10.62195 |
| PITPNA |
1UW5 |
A |
0 |
-10.61407 |
| POLQ |
5AGA |
A |
2 |
-10.6118 |
| PARP1 |
1UK0 |
A |
0 |
-10.60286 |
| FGFR3 |
4K33 |
A |
0 |
-10.60286 |
| KDM5B |
5A3N |
A |
0 |
-10.58055 |
| NAA50 |
2OB0 |
C |
0 |
-10.57845 |
| PIK3CG |
1HE8 |
A |
0 |
-10.57467 |
| CLTC |
2XZG |
A |
0 |
-10.5586 |
| TTK |
4JS8 |
A |
0 |
-10.55583 |
| SPR |
1Z6Z |
A |
0 |
-10.55211 |
| CASK |
3MFR |
A |
0 |
-10.546560000000001 |
| SMYD3 |
3PDN |
A |
0 |
-10.53293 |
| ETFB |
1EFV |
B |
0 |
-10.53238 |
| PARP1 |
4ZZZ |
A |
0 |
-10.51436 |
| EIF2AK3 |
4X7K |
A |
0 |
-10.51361 |
| WDR61 |
3OW8 |
C |
0 |
-10.5087 |
| TLR2 |
1FYW |
A |
0 |
-10.50798 |
| PKN1 |
4OTD |
A |
0 |
-10.5051 |
| ASS1 |
2NZ2 |
A |
0 |
-10.49998 |
| SERPINB2 |
2ARQ |
A |
0 |
-10.47836 |
| DCXR |
1PR9 |
A |
0 |
-10.47733 |
| COMT |
4PYK |
A |
0 |
-10.46672 |
| MAPK3 |
4QTB |
A |
0 |
-10.45923 |
| MAPK9 |
3E7O |
A |
0 |
-10.45629 |
| MAT2B |
4KTV |
E |
0 |
-10.44858 |
| SGK1 |
2R5T |
A |
0 |
-10.44775 |
| NR5A2 |
4RWV |
A |
0 |
-10.4445 |
| ACVR1 |
3H9R |
A |
0 |
-10.44314 |
| DTYMK |
1E2F |
A |
0 |
-10.42232 |
| WARS |
1R6T |
A |
0 |
-10.4166 |
| SERPINA5 |
3DY0 |
A |
1 |
-10.41183 |
| GYG1 |
3T7M |
A |
0 |
-10.410730000000001 |
| ALB |
1N5U |
A |
0 |
-10.4001 |
| CA12 |
4HT2 |
A |
0 |
-10.39973 |
| PIM2 |
2IWI |
B |
0 |
-10.39903 |
| PYGL |
1FA9 |
A |
0 |
-10.39415 |
| PIK3CA |
3ZIM |
A |
0 |
-10.393930000000001 |
| NAGK |
2CH5 |
A |
0 |
-10.38293 |
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