Compound 8
Smiles:
OC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)C)[C@@H]([C@H]([C@@H]1O)O)O
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| HPRT1 |
1BZY |
A |
0 |
-10.90059 |
| HSPA2 |
3I33 |
A |
0 |
-10.656930000000001 |
| HSPA1A |
3AY9 |
A |
0 |
-10.41724 |
| SULT1A3 |
2A3R |
A |
0 |
-10.24964 |
| TXNRD1 |
3QFB |
A |
0 |
-10.08583 |
| SULT2B1 |
1Q20 |
A |
0 |
-10.061910000000001 |
| DTYMK |
1E2F |
A |
0 |
-10.04805 |
| PRKACA |
4WB7 |
A |
0 |
-9.94668 |
| PTPRG |
2NLK |
A |
0 |
-9.92305 |
| PARP1 |
4OPX |
A |
0 |
-9.92075 |
| GUSB |
3HN3 |
B |
1 |
-9.91645 |
| NEK2 |
2W5A |
A |
0 |
-9.916160000000001 |
| NT5C2 |
2XCW |
A |
1 |
-9.898810000000001 |
| LIG1 |
1X9N |
A |
1 |
-9.85251 |
| KDM4C |
4XDO |
A |
0 |
-9.84494 |
| TOP2A |
1ZXM |
B |
0 |
-9.77725 |
| CHKB |
2IG7 |
B |
0 |
-9.71596 |
| CTBP2 |
2OME |
A |
0 |
-9.70284 |
| ABL1 |
2FO0 |
A |
0 |
-9.64361 |
| GNAI1 |
4G5Q |
D |
0 |
-9.630989999999999 |
| NOS3 |
4D1O |
A |
0 |
-9.60477 |
| NOS3 |
3EAH |
B |
0 |
-9.60218 |
| KEAP1 |
1U6D |
X |
0 |
-9.600430000000001 |
| SMYD3 |
3PDN |
A |
0 |
-9.571810000000001 |
| PFKFB3 |
2AXN |
A |
1 |
-9.547789999999999 |
| HINT1 |
3TW2 |
A |
0 |
-9.5433 |
| PARP1 |
4ZZZ |
A |
0 |
-9.53819 |
| ALB |
1N5U |
A |
4 |
-9.5216 |
| CDK1 |
4Y72 |
A |
0 |
-9.50252 |
| KARS |
3BJU |
A |
0 |
-9.49137 |
| BRAF |
4H58 |
C |
0 |
-9.48789 |
| VDAC1 |
2JK4 |
A |
1 |
-9.4591 |
| KDM5B |
5A3N |
A |
1 |
-9.45091 |
| DLD |
1ZMC |
D |
0 |
-9.43648 |
| KEAP1 |
3VNG |
A |
0 |
-9.42804 |
| GFPT1 |
2ZJ3 |
A |
0 |
-9.41954 |
| BTK |
4Z3V |
A |
0 |
-9.408710000000001 |
| HPGD |
2GDZ |
A |
0 |
-9.376560000000001 |
| LIG3 |
3L2P |
A |
0 |
-9.37275 |
| TKT |
4KXV |
A |
1 |
-9.34752 |
| CCNB1 |
4Y72 |
B |
0 |
-9.34259 |
| CCND3 |
3G33 |
B |
0 |
-9.33941 |
| TOP2A |
1ZXN |
C |
0 |
-9.31171 |
| EPHX2 |
5AI0 |
A |
0 |
-9.29546 |
| TOP1 |
1RR8 |
C |
0 |
-9.29541 |
| GNAI1 |
3UMS |
A |
1 |
-9.28523 |
| HNMT |
2AOT |
A |
0 |
-9.25818 |
| AKT1 |
4EJN |
A |
0 |
-9.2527 |
| GNPDA1 |
1NE7 |
A |
0 |
-9.250810000000001 |
| GMDS |
1T2A |
A |
0 |
-9.224169999999999 |
| TNKS2 |
4HYF |
A |
0 |
-9.20612 |
| CHEK2 |
2YCF |
A |
1 |
-9.20182 |
| HMGCS2 |
2WYA |
A |
0 |
-9.19918 |
| AP1B1 |
4HMY |
B |
0 |
-9.16892 |
| MAPK8 |
4QTD |
A |
0 |
-9.1656 |
| ESR1 |
2QAB |
B |
0 |
-9.15616 |
| GNE |
2YHW |
A |
0 |
-9.153139999999999 |
| HSD17B4 |
1ZBQ |
A |
0 |
-9.14746 |
| GNAI3 |
2ODE |
C |
0 |
-9.1308 |
| ADSL |
2J91 |
B |
0 |
-9.1294 |
| PCSK9 |
2P4E |
A |
1 |
-9.10182 |
| RIPK1 |
4ITJ |
B |
0 |
-9.09955 |
| FGG |
3GHG |
I |
0 |
-9.099 |
| TK1 |
1W4R |
A |
0 |
-9.0975 |
| CANT1 |
1S18 |
A |
0 |
-9.09717 |
| DNMT1 |
3SWR |
A |
0 |
-9.08612 |
| HSD17B10 |
1U7T |
A |
0 |
-9.08376 |
| AK1 |
1Z83 |
B |
0 |
-9.071819999999999 |
| AHCY |
1A7A |
A |
0 |
-9.0717 |
| PC |
3BG3 |
D |
0 |
-9.06798 |
| WDR61 |
3OW8 |
C |
0 |
-9.067860000000001 |
| TYK2 |
4PO6 |
A |
0 |
-9.06713 |
| GYG1 |
3T7M |
A |
0 |
-9.06633 |
| NTRK1 |
4PMM |
A |
0 |
-9.06581 |
| CES1 |
2H7C |
A |
3 |
-9.05823 |
| DHRS4 |
3O4R |
A |
0 |
-9.03844 |
| PCSK9 |
3P5C |
A |
1 |
-9.01143 |
| KDM4B |
4LXL |
A |
0 |
-9.0084 |
| MYO10 |
3AU4 |
A |
0 |
-8.99721 |
| LDLR |
1N7D |
A |
0 |
-8.994769999999999 |
| GSS |
2HGS |
A |
0 |
-8.990739999999999 |
| LDLR |
1IJQ |
A |
0 |
-8.98909 |
| RET |
4CKJ |
A |
0 |
-8.98665 |
| NT5E |
4H2I |
A |
0 |
-8.986180000000001 |
| EPRS |
4HVC |
B |
0 |
-8.98217 |
| TOP2A |
4FM9 |
A |
0 |
-8.97448 |
| KDM1A |
2IW5 |
A |
0 |
-8.96435 |
| PYGL |
3DDS |
A |
0 |
-8.956660000000001 |
| NR1H3 |
3IPQ |
A |
0 |
-8.95156 |
| RALA |
1ZC3 |
A |
0 |
-8.95155 |
| PVRL2 |
3R0N |
A |
0 |
-8.94717 |
| PDPK1 |
3QC4 |
B |
0 |
-8.94525 |
| NR5A2 |
4RWV |
A |
0 |
-8.93319 |
| ALDH5A1 |
2W8N |
A |
0 |
-8.9288 |
| CBS |
4COO |
A |
0 |
-8.91555 |
| CFD |
2XW9 |
A |
0 |
-8.91195 |
| PROCR |
1LQV |
B |
0 |
-8.91098 |
| ABL1 |
2G2H |
A |
0 |
-8.91095 |
| PARP2 |
3KCZ |
A |
0 |
-8.91042 |
| IL1R2 |
3O4O |
C |
1 |
-8.8987 |
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