Compound 35
Smiles:
CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)N1CCCCC1
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| NMT1 |
3IU1 |
B |
0 |
-13.27643 |
| PARP1 |
1UK0 |
A |
0 |
-13.10201 |
| NT5E |
4H2I |
A |
0 |
-13.03513 |
| DHRS4 |
3O4R |
A |
0 |
-13.011339999999999 |
| PITPNA |
1UW5 |
A |
0 |
-12.89511 |
| PPOX |
3NKS |
A |
0 |
-12.63147 |
| WDR61 |
3OW8 |
C |
0 |
-12.54637 |
| NOS3 |
4D1O |
A |
0 |
-12.51417 |
| SERPINA5 |
3DY0 |
A |
0 |
-12.49189 |
| NEK2 |
2W5A |
A |
0 |
-12.47815 |
| PARP2 |
3KCZ |
A |
0 |
-12.417489999999999 |
| PARP1 |
4ZZZ |
A |
0 |
-12.41188 |
| AKR1C2 |
1XJB |
A |
0 |
-12.34149 |
| GYG1 |
3T7M |
A |
0 |
-12.27817 |
| SERPINC1 |
2ZNH |
B |
0 |
-12.21466 |
| TOP1 |
1RR8 |
C |
0 |
-12.17808 |
| LTA4H |
1HS6 |
A |
0 |
-12.1421 |
| AIFM1 |
4LII |
A |
0 |
-12.09468 |
| GCDH |
1SIQ |
A |
0 |
-12.0816 |
| AKT1 |
4EJN |
A |
0 |
-12.03859 |
| SLC2A1 |
4PYP |
A |
0 |
-12.00884 |
| ITGAV |
4G1E |
A |
0 |
-11.995619999999999 |
| ITGAV |
3IJE |
A |
0 |
-11.93817 |
| GNB1 |
3CIK |
B |
0 |
-11.87844 |
| MAP2K6 |
3VN9 |
A |
0 |
-11.81927 |
| UGDH |
2Q3E |
A |
0 |
-11.81524 |
| ALB |
1N5U |
A |
0 |
-11.74275 |
| MAPK8 |
4QTD |
A |
0 |
-11.719330000000001 |
| CXCR4 |
3OE6 |
A |
0 |
-11.70779 |
| NR1H2 |
4RAK |
A |
0 |
-11.69482 |
| ITGA4 |
4IRZ |
A |
0 |
-11.68491 |
| HAT1 |
2P0W |
A |
0 |
-11.67527 |
| TNKS2 |
4HYF |
A |
0 |
-11.66041 |
| GMDS |
1T2A |
A |
0 |
-11.65047 |
| TH |
2XSN |
D |
0 |
-11.62134 |
| MUT |
2XIQ |
A |
0 |
-11.6103 |
| DLD |
1ZMC |
D |
0 |
-11.590869999999999 |
| KDM4C |
4XDO |
A |
0 |
-11.57354 |
| MAPK3 |
4QTB |
A |
0 |
-11.56812 |
| PYGL |
1FA9 |
A |
0 |
-11.5651 |
| NMRAL1 |
2WM3 |
A |
0 |
-11.562660000000001 |
| GMPS |
2VXO |
B |
0 |
-11.554860000000001 |
| MGLL |
3PE6 |
A |
0 |
-11.54621 |
| SPR |
1Z6Z |
A |
0 |
-11.54466 |
| ABL1 |
2G2H |
A |
0 |
-11.54387 |
| DAPK1 |
2W4K |
A |
0 |
-11.5264 |
| RAE1 |
3MMY |
C |
0 |
-11.50726 |
| HPGD |
2GDZ |
A |
0 |
-11.49996 |
| LCK |
3MPM |
A |
0 |
-11.44625 |
| FGFR3 |
4K33 |
A |
0 |
-11.44622 |
| IFIT5 |
4HOR |
A |
0 |
-11.441880000000001 |
| ROCK2 |
4WOT |
B |
0 |
-11.43488 |
| PKN2 |
4CRS |
A |
0 |
-11.43162 |
| IGHMBP2 |
4B3F |
X |
0 |
-11.42779 |
| GSR |
3DJJ |
A |
0 |
-11.41323 |
| CRYZ |
1YB5 |
A |
0 |
-11.40987 |
| IL1B |
3POK |
A |
0 |
-11.3754 |
| GALE |
1I3K |
A |
0 |
-11.373339999999999 |
| HNMT |
2AOT |
A |
0 |
-11.37167 |
| PLA2G15 |
4X90 |
A |
0 |
-11.36796 |
| EP300 |
4BHW |
A |
0 |
-11.34015 |
| NOS3 |
3EAH |
B |
0 |
-11.334060000000001 |
| PARP1 |
4DQY |
C |
0 |
-11.32333 |
| IFNG |
1FYH |
A |
0 |
-11.30712 |
| GSK3B |
4AFJ |
B |
0 |
-11.30635 |
| TYK2 |
4WOV |
A |
0 |
-11.29914 |
| ERBB4 |
2R4B |
A |
0 |
-11.29706 |
| GSK3B |
4NM5 |
A |
0 |
-11.2561 |
| ACADSB |
2JIF |
A |
0 |
-11.2545 |
| TBK1 |
4EUU |
A |
0 |
-11.24756 |
| NAA50 |
2OB0 |
C |
0 |
-11.234060000000001 |
| DTYMK |
1E2F |
A |
0 |
-11.193589999999999 |
| EGFR |
3W32 |
A |
0 |
-11.17977 |
| ERBB2 |
2A91 |
A |
0 |
-11.16638 |
| SGK1 |
2R5T |
A |
0 |
-11.16367 |
| DAPK3 |
3BHY |
A |
0 |
-11.14533 |
| NR5A2 |
1ZDU |
A |
0 |
-11.118960000000001 |
| HMOX2 |
2QPP |
B |
0 |
-11.11285 |
| PC |
3BG3 |
A |
0 |
-11.1059 |
| PAH |
2PAH |
A |
0 |
-11.09568 |
| CTSD |
1LYW |
A |
0 |
-11.09402 |
| DDAH1 |
2JAJ |
B |
0 |
-11.09095 |
| TLE1 |
1GXR |
A |
0 |
-11.09065 |
| TOP1 |
1SEU |
A |
0 |
-11.089830000000001 |
| CSNK2A2 |
3OFM |
A |
0 |
-11.07398 |
| SRPK1 |
1WAK |
A |
0 |
-11.0706 |
| PTGR1 |
1ZSV |
A |
0 |
-11.06826 |
| ERBB4 |
3BCE |
B |
0 |
-11.05935 |
| UCHL1 |
2ETL |
A |
0 |
-11.04969 |
| STK3 |
4LGD |
A |
0 |
-11.04797 |
| MMP2 |
1GXD |
A |
0 |
-11.043289999999999 |
| ULK1 |
5CI7 |
A |
0 |
-11.02838 |
| AGTR1 |
4YAY |
A |
0 |
-11.02675 |
| TTK |
4JS8 |
A |
0 |
-11.00628 |
| POLQ |
5AGA |
A |
2 |
-11.00344 |
| TXNRD1 |
3QFB |
A |
0 |
-10.996789999999999 |
| ACVR1 |
4C02 |
A |
0 |
-10.98794 |
| CSNK2A2 |
3U87 |
A |
0 |
-10.978480000000001 |
| CAMK2G |
2V7O |
A |
1 |
-10.9625 |
| TGFBR1 |
3HMM |
A |
0 |
-10.957880000000001 |
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