Compound 28
Smiles:
OC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)C
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| TOP2A |
1ZXM |
B |
0 |
-12.29982 |
| TOP2A |
1ZXN |
C |
0 |
-12.09409 |
| PARP1 |
4ZZZ |
A |
0 |
-12.094 |
| NT5C2 |
2XCW |
A |
1 |
-11.818060000000001 |
| LTA4H |
1HS6 |
A |
0 |
-11.65773 |
| TRAP1 |
4Z1I |
B |
0 |
-11.45904 |
| SERPINA5 |
3DY0 |
A |
0 |
-11.392439999999999 |
| PARP1 |
1UK0 |
A |
0 |
-11.33949 |
| SLC2A1 |
4PYP |
A |
0 |
-11.1596 |
| PLCB3 |
4GNK |
B |
0 |
-11.0745 |
| EP300 |
4BHW |
A |
0 |
-11.0281 |
| ITGA4 |
4IRZ |
A |
0 |
-11.01567 |
| KIF11 |
3HQD |
A |
0 |
-10.97935 |
| OXCT1 |
3DLX |
A |
0 |
-10.94074 |
| DDAH1 |
2JAJ |
B |
0 |
-10.92559 |
| GSR |
3DJJ |
A |
0 |
-10.91106 |
| SIRT3 |
3GLR |
A |
0 |
-10.90574 |
| PARP1 |
4DQY |
C |
0 |
-10.88722 |
| WARS |
1R6U |
A |
0 |
-10.87146 |
| NR1H2 |
4RAK |
A |
0 |
-10.85818 |
| DHRS4 |
3O4R |
A |
0 |
-10.82116 |
| KDM1A |
2IW5 |
A |
0 |
-10.8059 |
| TH |
2XSN |
D |
0 |
-10.788739999999999 |
| CXCR4 |
3ODU |
A |
0 |
-10.779160000000001 |
| NR1H2 |
4NQA |
B |
0 |
-10.71739 |
| MTR |
2O2K |
B |
0 |
-10.67125 |
| ITGAV |
3IJE |
A |
0 |
-10.66795 |
| GALE |
1I3K |
A |
0 |
-10.63598 |
| POLQ |
5AGA |
A |
1 |
-10.63039 |
| CDK2 |
4CFV |
A |
0 |
-10.62085 |
| NEK2 |
2W5A |
A |
0 |
-10.61359 |
| CANT1 |
1S18 |
A |
0 |
-10.6025 |
| IFIT5 |
4HOR |
A |
0 |
-10.58789 |
| MLH1 |
4P7A |
A |
0 |
-10.571819999999999 |
| NR1H3 |
3IPU |
A |
0 |
-10.54964 |
| BRAF |
3SKC |
B |
0 |
-10.53611 |
| CTBP2 |
2OME |
A |
0 |
-10.53352 |
| STK10 |
5AJQ |
A |
0 |
-10.5276 |
| LCK |
3MPM |
A |
0 |
-10.52063 |
| SULT2B1 |
1Q20 |
A |
0 |
-10.49836 |
| MYO10 |
3AU4 |
A |
0 |
-10.49648 |
| NTRK1 |
4PMM |
A |
0 |
-10.49145 |
| BACE1 |
4JOO |
A |
0 |
-10.4724 |
| PAH |
2PAH |
A |
0 |
-10.4712 |
| RHEB |
3T5G |
A |
0 |
-10.46139 |
| PDPK1 |
4RQV |
A |
0 |
-10.44508 |
| TOP1 |
1SEU |
A |
0 |
-10.42451 |
| RRAGC |
3LLU |
A |
0 |
-10.42218 |
| PARP2 |
3KCZ |
A |
0 |
-10.4207 |
| CYP1A1 |
4I8V |
A |
0 |
-10.40704 |
| RBBP7 |
3CFV |
B |
0 |
-10.39011 |
| JAK2 |
4JIA |
A |
0 |
-10.361989999999999 |
| MAPK8 |
4QTD |
A |
0 |
-10.35989 |
| CRAT |
1NM8 |
A |
0 |
-10.35637 |
| NAT1 |
2PQT |
A |
0 |
-10.35425 |
| RRAGD |
2Q3F |
A |
2 |
-10.34038 |
| GCDH |
1SIQ |
A |
0 |
-10.32943 |
| GGT1 |
4GDX |
B |
0 |
-10.30645 |
| PRKCQ |
4RA5 |
A |
0 |
-10.29469 |
| SRC |
1Y57 |
A |
0 |
-10.292810000000001 |
| TSTA3 |
4BKP |
C |
0 |
-10.29107 |
| GMDS |
1T2A |
A |
0 |
-10.28627 |
| IMPDH1 |
1JCN |
A |
0 |
-10.2829 |
| HINT1 |
3TW2 |
A |
0 |
-10.27913 |
| CSK |
3D7U |
A |
0 |
-10.27684 |
| ASS1 |
2NZ2 |
A |
0 |
-10.27395 |
| DNMT1 |
3SWR |
A |
1 |
-10.27099 |
| HMGCL |
2CW6 |
A |
0 |
-10.26877 |
| ITGAV |
4G1E |
A |
0 |
-10.26384 |
| NOS3 |
3EAH |
B |
0 |
-10.25417 |
| MAPKAPK2 |
4TYH |
A |
0 |
-10.25082 |
| WARS |
1R6T |
A |
0 |
-10.24274 |
| ODC1 |
2OO0 |
A |
0 |
-10.237 |
| EGFR |
3W32 |
A |
0 |
-10.2332 |
| PRKAA2 |
4CFE |
A |
0 |
-10.22919 |
| PRKACA |
4WB7 |
A |
1 |
-10.22893 |
| PTPRF |
1LAR |
A |
0 |
-10.2251 |
| HSPA2 |
3I33 |
A |
0 |
-10.20502 |
| ERBB2 |
3N85 |
A |
0 |
-10.19758 |
| AIFM1 |
4LII |
A |
0 |
-10.19482 |
| CDK7 |
1UA2 |
A |
0 |
-10.18476 |
| DAPK3 |
3BQR |
A |
1 |
-10.176739999999999 |
| NME1 |
1UCN |
B |
0 |
-10.17319 |
| NR5A2 |
4RWV |
A |
0 |
-10.169369999999999 |
| PLK1 |
2RKU |
A |
0 |
-10.1675 |
| GMPR2 |
2C6Q |
B |
0 |
-10.163739999999999 |
| FDFT1 |
3VJ9 |
A |
0 |
-10.14396 |
| PIK3CG |
1HE8 |
A |
0 |
-10.137789999999999 |
| PLA2G4A |
1CJY |
A |
0 |
-10.13755 |
| PDK2 |
2BU8 |
A |
0 |
-10.13707 |
| HPRT1 |
1BZY |
A |
0 |
-10.133980000000001 |
| TLE1 |
1GXR |
A |
0 |
-10.13333 |
| HAT1 |
2P0W |
A |
0 |
-10.12969 |
| AKT1 |
4EJN |
A |
0 |
-10.11796 |
| MGLL |
3PE6 |
A |
0 |
-10.11219 |
| AIM2 |
3VD8 |
A |
0 |
-10.11169 |
| HARS |
4PHC |
A |
0 |
-10.105319999999999 |
| DTYMK |
1E2F |
A |
0 |
-10.09395 |
| AK1 |
1Z83 |
B |
0 |
-10.09197 |
| TARS |
4HWT |
B |
0 |
-10.08575 |
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