Compound 23
Smiles:
COC[C@@H](Oc1cc(Oc2ncc(nc2)C(=O)N2CCC2)cc(c1)C(=O)Nc1ncc(nc1)C)C
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| TOP1 |
1RR8 |
C |
0 |
-12.79987 |
| HSPA2 |
3I33 |
A |
0 |
-11.638060000000001 |
| TOP1 |
1SEU |
A |
0 |
-11.14657 |
| KDM5B |
5A3N |
A |
0 |
-10.97674 |
| CYP1A1 |
4I8V |
A |
0 |
-10.95577 |
| POLG |
3IKM |
D |
1 |
-10.84929 |
| LCMT1 |
3IEI |
A |
0 |
-10.71579 |
| SULT1A3 |
2A3R |
A |
0 |
-10.71297 |
| WARS |
1R6U |
A |
0 |
-10.6974 |
| HSPA1A |
3AY9 |
A |
0 |
-10.56017 |
| COMT |
4PYK |
A |
0 |
-10.55906 |
| PYGL |
3DDS |
A |
0 |
-10.54485 |
| AKT1 |
4EJN |
A |
0 |
-10.51486 |
| CFD |
2XW9 |
A |
0 |
-10.489519999999999 |
| GGT1 |
4GDX |
B |
0 |
-10.459 |
| KDM1A |
2IW5 |
A |
0 |
-10.44212 |
| CAT |
1DGH |
C |
1 |
-10.39537 |
| AIFM1 |
4LII |
A |
0 |
-10.29831 |
| ITGA4 |
4IRZ |
A |
0 |
-10.227139999999999 |
| SERPINA5 |
3DY0 |
A |
0 |
-10.22135 |
| DHRS4 |
3O4R |
A |
0 |
-10.2192 |
| MMP2 |
1CK7 |
A |
0 |
-10.21219 |
| CHEK2 |
2YCF |
A |
1 |
-10.186580000000001 |
| TLE1 |
1GXR |
A |
0 |
-10.18038 |
| UGDH |
2Q3E |
A |
0 |
-10.15123 |
| PARP2 |
3KCZ |
A |
0 |
-10.14758 |
| PCSK9 |
2P4E |
A |
0 |
-10.12471 |
| WARS |
1R6T |
A |
0 |
-10.11771 |
| SULT2B1 |
1Q20 |
A |
0 |
-10.11186 |
| PFKFB3 |
2AXN |
A |
1 |
-10.09172 |
| ALB |
1N5U |
A |
2 |
-10.09072 |
| B3GAT3 |
3CU0 |
A |
0 |
-10.08296 |
| GSR |
3DJJ |
A |
0 |
-10.07968 |
| NR1H2 |
4NQA |
I |
0 |
-10.07958 |
| GNE |
2YHW |
A |
0 |
-10.05884 |
| TOP2A |
1ZXM |
B |
0 |
-10.053469999999999 |
| HPGD |
2GDZ |
A |
0 |
-10.04153 |
| LDLR |
1IJQ |
A |
0 |
-10.03764 |
| B2M |
4IIQ |
C |
1 |
-10.02365 |
| DTYMK |
1E2F |
A |
0 |
-10.02166 |
| EGLN1 |
3HQR |
A |
0 |
-9.99875 |
| PARP1 |
1UK0 |
A |
0 |
-9.97575 |
| MAPK9 |
3NPC |
A |
0 |
-9.97569 |
| DCK |
1P60 |
A |
0 |
-9.96752 |
| NMT1 |
3IU1 |
B |
0 |
-9.949760000000001 |
| PAH |
1MMK |
A |
0 |
-9.93914 |
| CLTC |
2XZG |
A |
0 |
-9.93011 |
| MUT |
2XIQ |
A |
0 |
-9.92831 |
| TNKS2 |
4HYF |
A |
0 |
-9.91657 |
| IKBKB |
4E3C |
B |
1 |
-9.913160000000001 |
| PYGL |
1FA9 |
A |
0 |
-9.89574 |
| PCSK9 |
2P4E |
A |
1 |
-9.89542 |
| TYK2 |
4PO6 |
A |
1 |
-9.8797 |
| RAF1 |
3OMV |
A |
0 |
-9.874089999999999 |
| NR1H2 |
4NQA |
B |
0 |
-9.873669999999999 |
| PHF2 |
3PTR |
B |
0 |
-9.86152 |
| ACADS |
2VIG |
E |
0 |
-9.85463 |
| RAB7A |
1T91 |
A |
0 |
-9.83354 |
| WARS |
1ULH |
B |
0 |
-9.82917 |
| TXNRD1 |
3QFB |
A |
0 |
-9.8281 |
| CFB |
2XWB |
F |
0 |
-9.82674 |
| MLH1 |
4P7A |
A |
0 |
-9.81803 |
| ACADSB |
2JIF |
A |
0 |
-9.80975 |
| BLM |
4CDG |
A |
0 |
-9.77972 |
| CDK1 |
4Y72 |
A |
0 |
-9.77143 |
| SIRT1 |
4KXQ |
A |
0 |
-9.75196 |
| CBR1 |
1WMA |
A |
0 |
-9.75005 |
| WDR61 |
3OW8 |
C |
0 |
-9.73338 |
| EP300 |
4BHW |
A |
0 |
-9.72145 |
| SPR |
1Z6Z |
A |
0 |
-9.70295 |
| NNT |
1DJL |
A |
0 |
-9.70219 |
| IL1R2 |
3O4O |
C |
1 |
-9.6949 |
| HRH1 |
3RZE |
A |
0 |
-9.69489 |
| MAT2B |
2YDX |
A |
0 |
-9.69472 |
| KEAP1 |
3VNG |
A |
0 |
-9.69425 |
| MLST8 |
4JSN |
C |
0 |
-9.690010000000001 |
| ECI1 |
1SG4 |
B |
0 |
-9.68089 |
| ALDH1A1 |
4WP7 |
A |
0 |
-9.67652 |
| PARP1 |
4ZZZ |
A |
0 |
-9.65518 |
| PARP1 |
4DQY |
C |
0 |
-9.64476 |
| PCMT1 |
1I1N |
A |
0 |
-9.6434 |
| AGTR1 |
4YAY |
A |
0 |
-9.63715 |
| PCSK9 |
3P5C |
A |
0 |
-9.634310000000001 |
| SKP2 |
1FQV |
A |
0 |
-9.63113 |
| SYK |
4FL3 |
A |
0 |
-9.62912 |
| HNMT |
2AOT |
A |
0 |
-9.628689999999999 |
| RAB1B |
3NKV |
A |
0 |
-9.6119 |
| PROCR |
1LQV |
B |
0 |
-9.60925 |
| KARS |
3BJU |
A |
0 |
-9.60887 |
| MSH2 |
3THW |
A |
0 |
-9.601460000000001 |
| HARS |
4G84 |
B |
0 |
-9.600439999999999 |
| AIM2 |
3VD8 |
A |
0 |
-9.59587 |
| MAPK8 |
4QTD |
A |
0 |
-9.591239999999999 |
| EGFR |
3W32 |
A |
0 |
-9.58417 |
| LTA4H |
1HS6 |
A |
0 |
-9.58345 |
| NT5E |
4H2I |
A |
0 |
-9.5762 |
| NOS3 |
3EAH |
B |
0 |
-9.57599 |
| ADRB2 |
4GBR |
A |
0 |
-9.57167 |
| ROCK2 |
4WOT |
B |
0 |
-9.56591 |
| TOP2A |
1ZXN |
C |
0 |
-9.56489 |
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