Compound 20
Smiles:
CN1CCN(CC1)CCOc1cc(OC2CCOCC2)c2c(c1)ncnc2Nc1c(Cl)ccc2c1OCO2
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| TOP1 |
1RR8 |
C |
0 |
-11.6756 |
| PARP1 |
4ZZZ |
A |
0 |
-11.5955 |
| PARP2 |
3KCZ |
A |
0 |
-11.55567 |
| TOP1 |
1SEU |
A |
0 |
-11.50361 |
| PARP1 |
1UK0 |
A |
0 |
-11.26845 |
| DDAH1 |
2JAJ |
B |
0 |
-11.22631 |
| DTYMK |
1E2F |
A |
0 |
-11.08057 |
| KARS |
3BJU |
A |
0 |
-11.04002 |
| NT5E |
4H2I |
A |
0 |
-10.86078 |
| CDK1 |
4Y72 |
A |
0 |
-10.725810000000001 |
| NOS3 |
3EAH |
B |
0 |
-10.70236 |
| ITGA4 |
4IRZ |
A |
0 |
-10.69656 |
| TOP1 |
1SC7 |
A |
0 |
-10.6772 |
| MGLL |
3PE6 |
A |
0 |
-10.641680000000001 |
| ABL1 |
2F4J |
A |
0 |
-10.585989999999999 |
| ACVR1 |
4C02 |
A |
0 |
-10.5661 |
| GSR |
3DJJ |
A |
0 |
-10.5651 |
| CFD |
2XW9 |
A |
0 |
-10.5348 |
| AKT1 |
4EJN |
A |
0 |
-10.53455 |
| GGT1 |
4GDX |
B |
0 |
-10.503110000000001 |
| MAPK3 |
4QTB |
A |
0 |
-10.50177 |
| IGHMBP2 |
4B3F |
X |
0 |
-10.50083 |
| SLC2A1 |
4PYP |
A |
0 |
-10.44404 |
| SERPINA5 |
3DY0 |
A |
0 |
-10.430019999999999 |
| MAT2B |
2YDX |
A |
0 |
-10.42704 |
| TOP2A |
1ZXN |
C |
0 |
-10.40864 |
| CDK6 |
1XO2 |
B |
0 |
-10.34689 |
| HINT1 |
3TW2 |
A |
0 |
-10.337489999999999 |
| ACADSB |
2JIF |
A |
0 |
-10.320789999999999 |
| MUT |
2XIQ |
A |
0 |
-10.3175 |
| PTPRF |
1LAR |
A |
0 |
-10.313189999999999 |
| KDM1A |
2IW5 |
A |
0 |
-10.29755 |
| PARP1 |
4DQY |
C |
0 |
-10.28534 |
| CSNK2A2 |
3OFM |
A |
0 |
-10.27921 |
| WARS |
1ULH |
B |
0 |
-10.26196 |
| LTA4H |
1HS6 |
A |
0 |
-10.25762 |
| TGFBR1 |
2WOT |
A |
0 |
-10.255289999999999 |
| EP300 |
4BHW |
A |
0 |
-10.24568 |
| TGFBR1 |
3HMM |
A |
0 |
-10.24126 |
| PIK3CG |
3ML9 |
A |
0 |
-10.23995 |
| ALB |
1N5U |
A |
4 |
-10.23426 |
| WEE1 |
1X8B |
A |
0 |
-10.226289999999999 |
| PIK3CA |
3ZIM |
A |
0 |
-10.21455 |
| HNMT |
2AOT |
A |
0 |
-10.20164 |
| ERBB2 |
2A91 |
A |
0 |
-10.188839999999999 |
| ITGAV |
4G1E |
A |
0 |
-10.18644 |
| RBBP7 |
3CFV |
B |
0 |
-10.16792 |
| MAPK8 |
4QTD |
A |
0 |
-10.16142 |
| NAGK |
2CH5 |
A |
0 |
-10.16122 |
| CYP1A1 |
4I8V |
A |
0 |
-10.15141 |
| TYK2 |
4PO6 |
A |
1 |
-10.15072 |
| PIK3CG |
3IBE |
A |
0 |
-10.14086 |
| CANT1 |
1S18 |
A |
0 |
-10.1224 |
| CRYZ |
1YB5 |
A |
0 |
-10.12232 |
| ACVR1 |
3Q4U |
B |
0 |
-10.11358 |
| WARS |
1R6U |
A |
0 |
-10.10942 |
| CTBP2 |
2OME |
A |
0 |
-10.098469999999999 |
| GGPS1 |
2Q80 |
A |
0 |
-10.07521 |
| TBK1 |
4EUU |
A |
0 |
-10.06471 |
| PYGL |
1FA9 |
A |
0 |
-10.0633 |
| MAT2B |
4KTV |
E |
0 |
-10.06156 |
| ACADS |
2VIG |
E |
0 |
-10.036719999999999 |
| ITGAV |
3IJE |
A |
0 |
-10.03554 |
| PITPNA |
1UW5 |
A |
0 |
-10.034460000000001 |
| POLG |
3IKM |
D |
2 |
-10.02417 |
| POLQ |
5AGA |
A |
0 |
-10.02095 |
| WARS |
1R6T |
A |
0 |
-10.010769999999999 |
| NR3C1 |
3H52 |
B |
0 |
-10.00906 |
| RORC |
4YMQ |
A |
0 |
-10.00573 |
| PIM1 |
3F2A |
A |
0 |
-10.00525 |
| SUFU |
4KMD |
A |
0 |
-9.98323 |
| PIK3CG |
1E8Y |
A |
0 |
-9.97115 |
| ORM1 |
3KQ0 |
A |
0 |
-9.96948 |
| NR5A2 |
4RWV |
A |
0 |
-9.9642 |
| B2M |
4IIQ |
C |
1 |
-9.96144 |
| TRAP1 |
4Z1F |
A |
0 |
-9.956760000000001 |
| IKBKB |
4KIK |
B |
2 |
-9.94717 |
| CXCR4 |
3ODU |
A |
0 |
-9.9447 |
| CRAT |
1NM8 |
A |
0 |
-9.94167 |
| KIF11 |
4BXN |
A |
0 |
-9.939919999999999 |
| PDE4D |
3G58 |
D |
0 |
-9.93145 |
| AIFM1 |
4LII |
A |
0 |
-9.92866 |
| AK1 |
1Z83 |
B |
0 |
-9.91875 |
| OXCT1 |
3DLX |
A |
0 |
-9.9097 |
| SPR |
1Z6Z |
A |
0 |
-9.90199 |
| ALB |
1N5U |
A |
0 |
-9.89605 |
| NMT1 |
1RXT |
A |
0 |
-9.87952 |
| KEAP1 |
3VNG |
A |
0 |
-9.8779 |
| GGCT |
3CRY |
A |
0 |
-9.87279 |
| UGDH |
2Q3E |
A |
0 |
-9.86168 |
| NEK2 |
2W5A |
A |
0 |
-9.86123 |
| DHRS4 |
3O4R |
A |
0 |
-9.85869 |
| NOS3 |
4D1O |
A |
0 |
-9.85437 |
| GNB1 |
3CIK |
B |
0 |
-9.853860000000001 |
| SGK1 |
2R5T |
A |
0 |
-9.8518 |
| SUPV3L1 |
3RC8 |
A |
0 |
-9.84258 |
| EPHB4 |
2VWX |
A |
0 |
-9.838280000000001 |
| PIK3CG |
1HE8 |
A |
0 |
-9.83418 |
| SARS |
4L87 |
A |
0 |
-9.83264 |
| ESR1 |
2IOK |
B |
0 |
-9.83254 |
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