Compound 13
Smiles:
CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCCC(C1)CC(=O)O
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| CYP1A1 |
4I8V |
A |
0 |
-10.61684 |
| NR1H2 |
4NQA |
I |
0 |
-10.279630000000001 |
| B2M |
4IIQ |
C |
1 |
-10.19098 |
| TOP1 |
1SEU |
A |
0 |
-10.17428 |
| NR1H3 |
3IPU |
A |
0 |
-10.166889999999999 |
| AKR1C2 |
1XJB |
A |
0 |
-10.12996 |
| HINT1 |
3TW2 |
A |
0 |
-10.09706 |
| KDM1A |
2IW5 |
A |
0 |
-10.09619 |
| NR1H3 |
3IPQ |
A |
0 |
-10.055589999999999 |
| DTYMK |
1E2F |
A |
0 |
-10.03069 |
| VDR |
3AZ3 |
A |
0 |
-9.92373 |
| KIF11 |
4BXN |
A |
0 |
-9.87049 |
| CSNK1D |
4TWC |
A |
0 |
-9.807269999999999 |
| GYG1 |
3T7M |
A |
0 |
-9.76785 |
| TOP1 |
1RR8 |
C |
0 |
-9.75619 |
| RXRA |
4NQA |
H |
0 |
-9.716510000000001 |
| SERPINA5 |
3DY0 |
A |
0 |
-9.68759 |
| NMT1 |
3IU1 |
B |
0 |
-9.678239999999999 |
| CLK1 |
1Z57 |
A |
0 |
-9.65053 |
| ADRB2 |
4GBR |
A |
0 |
-9.61495 |
| PARP2 |
3KCZ |
A |
0 |
-9.61047 |
| KDM4C |
4XDO |
A |
0 |
-9.593010000000001 |
| TLR2 |
2Z7X |
A |
0 |
-9.57647 |
| CDK1 |
4Y72 |
A |
0 |
-9.57095 |
| TH |
2XSN |
D |
0 |
-9.55392 |
| CDK16 |
3MTL |
A |
0 |
-9.54297 |
| RXRA |
1MZN |
A |
0 |
-9.53004 |
| PLCB3 |
4GNK |
B |
0 |
-9.513160000000001 |
| EGFR |
3W32 |
A |
0 |
-9.50853 |
| MAPK8 |
4QTD |
A |
0 |
-9.49871 |
| CSNK2A2 |
3OFM |
A |
0 |
-9.474089999999999 |
| DDAH1 |
2JAJ |
B |
0 |
-9.46519 |
| DHRS4 |
3O4R |
A |
0 |
-9.45245 |
| TYK2 |
4PO6 |
A |
0 |
-9.44615 |
| HSD17B4 |
1IKT |
A |
0 |
-9.41337 |
| PARP1 |
4ZZZ |
A |
0 |
-9.39441 |
| HSPA2 |
3I33 |
A |
0 |
-9.3855 |
| ACAD8 |
1RX0 |
A |
0 |
-9.3853 |
| ITGA4 |
4IRZ |
A |
0 |
-9.36802 |
| PITPNA |
1UW5 |
A |
0 |
-9.36556 |
| MUT |
2XIQ |
A |
0 |
-9.33918 |
| NOS3 |
4D1O |
A |
0 |
-9.33586 |
| CSNK2A2 |
3U87 |
A |
0 |
-9.3283 |
| ALB |
1N5U |
A |
1 |
-9.31532 |
| SULT2B1 |
1Q20 |
A |
0 |
-9.30073 |
| PIK3CG |
3IBE |
A |
0 |
-9.29805 |
| C5 |
3PVM |
A |
1 |
-9.2939 |
| GGT1 |
4GDX |
B |
0 |
-9.29224 |
| POLG |
3IKM |
D |
3 |
-9.29172 |
| LDLR |
1N7D |
A |
1 |
-9.2764 |
| SGK1 |
2R5T |
A |
0 |
-9.26491 |
| KARS |
3BJU |
A |
0 |
-9.26047 |
| NR1H2 |
4NQA |
B |
0 |
-9.254430000000001 |
| CAT |
1DGH |
C |
1 |
-9.2511 |
| MAT2B |
2YDX |
A |
0 |
-9.240089999999999 |
| GSR |
3DJJ |
A |
0 |
-9.23991 |
| AIFM1 |
4LII |
A |
0 |
-9.23548 |
| FLT4 |
4BSK |
A |
0 |
-9.21969 |
| HMOX2 |
2QPP |
B |
0 |
-9.219330000000001 |
| AKT1 |
4EJN |
A |
0 |
-9.21224 |
| NT5E |
4H2I |
A |
0 |
-9.21151 |
| TNKS2 |
4HYF |
A |
0 |
-9.2037 |
| RAMP1 |
4RWG |
B |
0 |
-9.198210000000001 |
| HPGD |
2GDZ |
A |
0 |
-9.19595 |
| PARP1 |
1UK0 |
A |
0 |
-9.194280000000001 |
| LIMK2 |
4TPT |
A |
0 |
-9.188039999999999 |
| GCDH |
1SIQ |
A |
0 |
-9.1875 |
| CFB |
2XWB |
F |
0 |
-9.17465 |
| GABBR1 |
4MS4 |
A |
0 |
-9.17437 |
| TLE1 |
1GXR |
A |
0 |
-9.16943 |
| DNMT1 |
3SWR |
A |
0 |
-9.16888 |
| RORC |
4YMQ |
A |
0 |
-9.167530000000001 |
| CSNK2A1 |
3AT2 |
A |
0 |
-9.16652 |
| PDE4D |
3G58 |
D |
0 |
-9.14658 |
| SERPINB2 |
2ARQ |
A |
0 |
-9.14532 |
| CHKB |
2IG7 |
B |
0 |
-9.144969999999999 |
| EP300 |
4BHW |
A |
0 |
-9.13799 |
| ORM1 |
3KQ0 |
A |
0 |
-9.13567 |
| GNPDA1 |
1NE7 |
A |
0 |
-9.12871 |
| PDPK1 |
3QC4 |
B |
0 |
-9.1225 |
| RORC |
4NB6 |
B |
0 |
-9.121260000000001 |
| PARP1 |
4DQY |
C |
0 |
-9.11793 |
| CHEK2 |
2YCF |
A |
1 |
-9.11727 |
| HSPA1A |
3AY9 |
A |
0 |
-9.10305 |
| NAA50 |
2OB0 |
C |
0 |
-9.098980000000001 |
| CBR1 |
1WMA |
A |
0 |
-9.0844 |
| ERBB4 |
2R4B |
A |
0 |
-9.07131 |
| ACADS |
2VIG |
E |
0 |
-9.06886 |
| PROCR |
1LQV |
B |
0 |
-9.06173 |
| CXCR4 |
3OE6 |
A |
0 |
-9.05616 |
| WARS |
1R6U |
A |
0 |
-9.05533 |
| ABL1 |
2F4J |
A |
0 |
-9.05493 |
| PC |
3BG3 |
A |
0 |
-9.05392 |
| RARA |
3KMR |
A |
2 |
-9.052669999999999 |
| CAPNS1 |
4PHJ |
A |
0 |
-9.051689999999999 |
| ACADSB |
2JIF |
A |
0 |
-9.04904 |
| MAPK14 |
3OD6 |
X |
1 |
-9.048689999999999 |
| KDM5B |
5A3N |
A |
0 |
-9.03928 |
| MAT2B |
4KTV |
E |
0 |
-9.03614 |
| TOP2A |
1ZXN |
C |
0 |
-9.0312 |
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