Compound 9
Smiles:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)N)C
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| HPRT1 |
1BZY |
A |
0 |
-11.30735 |
| HSPA2 |
3I33 |
A |
0 |
-10.22569 |
| PDXP |
2CFT |
A |
0 |
-10.15294 |
| PARP1 |
4ZZZ |
A |
0 |
-10.09638 |
| CTBP2 |
2OME |
A |
0 |
-10.09549 |
| HSPA1A |
3AY9 |
A |
0 |
-10.08763 |
| PFKFB3 |
2AXN |
A |
1 |
-10.07813 |
| NR1H3 |
3IPQ |
A |
0 |
-9.996410000000001 |
| ALB |
1N5U |
A |
1 |
-9.9955 |
| AKR1C2 |
1XJB |
A |
0 |
-9.99205 |
| GYG1 |
3T7M |
A |
0 |
-9.96843 |
| B2M |
4IIQ |
C |
1 |
-9.96142 |
| GNAI1 |
3UMS |
A |
1 |
-9.956430000000001 |
| ITGA4 |
4IRZ |
A |
0 |
-9.94517 |
| POLG |
3IKM |
D |
1 |
-9.91823 |
| KDM4C |
4XDO |
A |
0 |
-9.907919999999999 |
| NT5E |
4H2I |
A |
0 |
-9.89354 |
| AKT1 |
4EJN |
A |
0 |
-9.88787 |
| GSS |
2HGS |
A |
0 |
-9.81783 |
| CDK1 |
4Y72 |
A |
0 |
-9.81426 |
| AP1B1 |
4HMY |
B |
0 |
-9.80523 |
| KEAP1 |
3VNG |
A |
0 |
-9.80386 |
| LDLR |
1IJQ |
A |
0 |
-9.79306 |
| TH |
2XSN |
D |
0 |
-9.757760000000001 |
| DHRS4 |
3O4R |
A |
0 |
-9.74225 |
| AIFM1 |
4LII |
A |
0 |
-9.72262 |
| ALB |
1N5U |
A |
2 |
-9.72207 |
| AK1 |
1Z83 |
B |
0 |
-9.71299 |
| HINT1 |
3TW2 |
A |
0 |
-9.70824 |
| KDM5B |
5A3N |
A |
0 |
-9.694519999999999 |
| KARS |
3BJU |
A |
0 |
-9.6943 |
| RALA |
1ZC3 |
A |
0 |
-9.68379 |
| PLCB3 |
4GNK |
B |
0 |
-9.6505 |
| NR1H3 |
3IPU |
A |
0 |
-9.64371 |
| ERBB2 |
3N85 |
A |
0 |
-9.63279 |
| PARP1 |
1UK0 |
A |
0 |
-9.63007 |
| CBS |
4COO |
A |
0 |
-9.62376 |
| KDM5B |
5A3N |
A |
1 |
-9.60497 |
| CLK1 |
1Z57 |
A |
0 |
-9.60004 |
| SULT1A3 |
2A3R |
A |
0 |
-9.57995 |
| PYGL |
3DDS |
A |
0 |
-9.56982 |
| CLTC |
2XZG |
A |
0 |
-9.55317 |
| CYP1A1 |
4I8V |
A |
0 |
-9.55299 |
| NR1H4 |
3OKI |
A |
0 |
-9.552710000000001 |
| EP300 |
4BHW |
A |
0 |
-9.5327 |
| TNKS2 |
4HYF |
A |
0 |
-9.526 |
| ITGB2 |
3K6S |
B |
1 |
-9.521889999999999 |
| RBBP4 |
2XU7 |
B |
0 |
-9.52178 |
| ACADSB |
2JIF |
A |
0 |
-9.506960000000001 |
| TOP1 |
1SEU |
A |
0 |
-9.49345 |
| VDR |
1IE9 |
A |
0 |
-9.49188 |
| EGLN1 |
4UWD |
A |
0 |
-9.48058 |
| ACADS |
2VIG |
E |
0 |
-9.47827 |
| MAPK8 |
4QTD |
A |
0 |
-9.47659 |
| PCSK9 |
2P4E |
A |
0 |
-9.46162 |
| TKT |
4KXV |
A |
1 |
-9.45575 |
| NAE1 |
2NVU |
A |
1 |
-9.453660000000001 |
| SERPINA5 |
3DY0 |
A |
0 |
-9.45076 |
| DTYMK |
1E2F |
A |
0 |
-9.4226 |
| GCDH |
1SIQ |
A |
0 |
-9.42079 |
| NR1H4 |
4OIV |
B |
0 |
-9.419080000000001 |
| PARP2 |
3KCZ |
A |
0 |
-9.41587 |
| PDPK1 |
3QC4 |
B |
0 |
-9.40455 |
| ACVR1 |
3Q4U |
B |
0 |
-9.40441 |
| TOP2A |
1ZXN |
C |
0 |
-9.39594 |
| POLG |
3IKM |
D |
3 |
-9.39115 |
| TOP2A |
1ZXM |
B |
0 |
-9.391119999999999 |
| SPR |
1Z6Z |
A |
0 |
-9.38544 |
| EPRS |
4HVC |
B |
0 |
-9.38486 |
| ALDH5A1 |
2W8N |
A |
0 |
-9.37854 |
| TOP2A |
4FM9 |
A |
1 |
-9.37394 |
| POLG |
3IKM |
D |
2 |
-9.36589 |
| NOS3 |
3EAH |
B |
0 |
-9.3633 |
| MSH2 |
3THW |
A |
0 |
-9.35796 |
| CBR1 |
1WMA |
A |
0 |
-9.355139999999999 |
| MUT |
2XIQ |
A |
0 |
-9.35219 |
| PCSK9 |
2P4E |
A |
1 |
-9.35079 |
| TOP1 |
1RR8 |
C |
0 |
-9.34506 |
| TYK2 |
4PO6 |
A |
0 |
-9.33734 |
| PARP1 |
4DQY |
C |
0 |
-9.33677 |
| GMDS |
1T2A |
A |
0 |
-9.33495 |
| NMT1 |
3IU1 |
B |
0 |
-9.33009 |
| DNMT1 |
3SWR |
A |
0 |
-9.32922 |
| SERPINC1 |
3KCG |
I |
0 |
-9.32033 |
| TLE1 |
1GXR |
A |
0 |
-9.30998 |
| GNB1 |
3CIK |
B |
0 |
-9.30931 |
| MLH1 |
4P7A |
A |
0 |
-9.3009 |
| CRABP2 |
1CBS |
A |
0 |
-9.29199 |
| AIM2 |
3VD8 |
A |
0 |
-9.28871 |
| DNMT3A |
4U7P |
A |
0 |
-9.2806 |
| PPOX |
3NKS |
A |
0 |
-9.27768 |
| PTPRF |
1LAR |
A |
0 |
-9.27008 |
| CDK5 |
3O0G |
A |
0 |
-9.26747 |
| HPGD |
2GDZ |
A |
0 |
-9.26398 |
| NR5A2 |
4RWV |
A |
0 |
-9.263060000000001 |
| EP300 |
4PZS |
A |
0 |
-9.25884 |
| KEAP1 |
1U6D |
X |
0 |
-9.25602 |
| LTA4H |
1HS6 |
A |
0 |
-9.25453 |
| CANT1 |
1S18 |
A |
0 |
-9.25432 |
| PPARG |
3TY0 |
A |
0 |
-9.25168 |
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