Compound 25
Smiles:
CC(=O)Nc1cccc2c1c(Sc1ccc(cc1)Cl)c(n2CC(=O)O)C
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| HPRT1 |
1BZY |
A |
0 |
-10.92334 |
| B2M |
4IIQ |
C |
1 |
-10.33505 |
| CDK16 |
3MTL |
A |
0 |
-10.33222 |
| CHEK2 |
2YCF |
A |
1 |
-10.32873 |
| KDM4C |
4XDO |
A |
0 |
-10.31518 |
| KDM1A |
2IW5 |
A |
0 |
-10.266060000000001 |
| PARP1 |
1UK0 |
A |
0 |
-10.234160000000001 |
| PARP1 |
4ZZZ |
A |
0 |
-10.23015 |
| HINT1 |
3TW2 |
A |
0 |
-10.13897 |
| NOS3 |
3EAH |
B |
0 |
-10.01362 |
| CDK1 |
4Y72 |
A |
0 |
-10.00986 |
| ALB |
1N5U |
A |
1 |
-10.00132 |
| EPRS |
4HVC |
B |
0 |
-9.98 |
| PIM2 |
2IWI |
B |
0 |
-9.95151 |
| PARP2 |
3KCZ |
A |
0 |
-9.93868 |
| KIF11 |
4BXN |
A |
0 |
-9.93181 |
| TOP1 |
1SEU |
A |
0 |
-9.89049 |
| NOS3 |
4D1O |
A |
0 |
-9.8693 |
| TOP1 |
1RR8 |
C |
0 |
-9.86732 |
| NT5C2 |
2XCW |
A |
1 |
-9.86368 |
| AKT1 |
4EJN |
A |
0 |
-9.80531 |
| DDAH1 |
2JAJ |
B |
0 |
-9.79187 |
| CAT |
1DGH |
C |
1 |
-9.759780000000001 |
| NR1H3 |
3IPQ |
A |
0 |
-9.73883 |
| TOP1 |
1SC7 |
A |
0 |
-9.70727 |
| ME1 |
3WJA |
B |
0 |
-9.687330000000001 |
| WEE1 |
1X8B |
A |
0 |
-9.67728 |
| KARS |
3BJU |
A |
0 |
-9.66121 |
| ACADS |
2VIG |
E |
0 |
-9.63697 |
| C5 |
3PVM |
A |
1 |
-9.636460000000001 |
| IDE |
2G49 |
A |
0 |
-9.62835 |
| WARS |
1ULH |
B |
0 |
-9.62766 |
| PHKG2 |
2Y7J |
A |
0 |
-9.62705 |
| AIFM1 |
4LII |
A |
0 |
-9.59946 |
| TOP2A |
1ZXN |
C |
0 |
-9.58313 |
| WARS |
1R6U |
A |
0 |
-9.5413 |
| WARS |
1R6T |
A |
0 |
-9.541260000000001 |
| TNKS2 |
4HYF |
A |
0 |
-9.533669999999999 |
| MAT2B |
4KTV |
E |
0 |
-9.52869 |
| AKR1C2 |
1XJB |
A |
0 |
-9.5271 |
| LTA4H |
1HS6 |
A |
0 |
-9.525030000000001 |
| MAP2K2 |
1S9I |
A |
0 |
-9.52318 |
| MAP3K8 |
4Y85 |
A |
0 |
-9.52095 |
| PIK3CG |
3ML9 |
A |
0 |
-9.51582 |
| NMT1 |
3IU1 |
B |
0 |
-9.497589999999999 |
| CTBP2 |
2OME |
A |
0 |
-9.4969 |
| SERPINC1 |
3KCG |
I |
0 |
-9.477030000000001 |
| CLK1 |
1Z57 |
A |
0 |
-9.4768 |
| TOP2A |
1ZXM |
B |
0 |
-9.472380000000001 |
| TGFBR1 |
3HMM |
A |
0 |
-9.4655 |
| TOP2A |
4FM9 |
A |
0 |
-9.427760000000001 |
| GGT1 |
4GDX |
B |
0 |
-9.41939 |
| MAT2B |
2YDX |
A |
0 |
-9.40934 |
| NT5C2 |
2XCW |
A |
0 |
-9.40926 |
| SERPINA5 |
3DY0 |
A |
0 |
-9.39949 |
| NT5E |
4H2I |
A |
0 |
-9.37677 |
| DNMT1 |
3SWR |
A |
0 |
-9.376489999999999 |
| KDM5B |
5A3N |
A |
0 |
-9.37292 |
| NR1H2 |
4NQA |
I |
0 |
-9.37083 |
| KDM5B |
5A3N |
A |
2 |
-9.36699 |
| ALDH5A1 |
2W8N |
A |
0 |
-9.347489999999999 |
| TH |
2XSN |
D |
0 |
-9.33601 |
| HPGD |
2GDZ |
A |
0 |
-9.32436 |
| PLK2 |
4I6B |
A |
0 |
-9.31437 |
| MAPK8 |
4QTD |
A |
0 |
-9.31257 |
| GMDS |
1T2A |
A |
0 |
-9.29322 |
| PTPRF |
1LAR |
A |
0 |
-9.28892 |
| PITPNA |
1UW5 |
A |
0 |
-9.27973 |
| MYO10 |
3AU4 |
A |
0 |
-9.27639 |
| PIM1 |
3F2A |
A |
0 |
-9.27481 |
| NR1H4 |
4OIV |
B |
0 |
-9.26104 |
| MAPK3 |
4QTB |
A |
0 |
-9.2526 |
| SIRT3 |
3GLR |
A |
0 |
-9.25127 |
| PLK1 |
2RKU |
A |
0 |
-9.25056 |
| CYP1A1 |
4I8V |
A |
0 |
-9.22785 |
| CDK2 |
4GCJ |
A |
0 |
-9.21932 |
| POLQ |
4X0P |
A |
2 |
-9.192689999999999 |
| RAMP1 |
4RWG |
B |
0 |
-9.187 |
| METAP2 |
2OAZ |
A |
0 |
-9.18192 |
| ERBB4 |
2R4B |
A |
0 |
-9.17809 |
| NR3C1 |
3H52 |
B |
0 |
-9.1754 |
| CSNK2A2 |
3OFM |
A |
0 |
-9.1699 |
| PIK3CG |
1E8Y |
A |
0 |
-9.16868 |
| ITGA4 |
4IRZ |
A |
0 |
-9.16845 |
| TKT |
4KXV |
A |
1 |
-9.1638 |
| AP1B1 |
4HMY |
B |
0 |
-9.15255 |
| CTLA4 |
2X44 |
D |
0 |
-9.14875 |
| CSNK2A1 |
3AT2 |
A |
0 |
-9.144960000000001 |
| DHRS4 |
3O4R |
A |
0 |
-9.13978 |
| C5 |
4A5W |
A |
1 |
-9.13181 |
| GCDH |
1SIQ |
A |
0 |
-9.12358 |
| CRAT |
1NM8 |
A |
0 |
-9.122589999999999 |
| TRAP1 |
4Z1F |
A |
0 |
-9.12251 |
| KDM5B |
5A3N |
A |
1 |
-9.11867 |
| DTYMK |
1E2F |
A |
0 |
-9.11765 |
| ACADSB |
2JIF |
A |
0 |
-9.11551 |
| TTK |
4JS8 |
A |
0 |
-9.11328 |
| RXRA |
4J5X |
D |
1 |
-9.10834 |
| AK1 |
1Z83 |
B |
0 |
-9.10303 |
| CA12 |
4HT2 |
A |
0 |
-9.10297 |
DrugQuery