Compound 22
Smiles:
O=C1NC(=O)[C@@](N1)(C)CS(=O)(=O)N1CC[C@H](CC1)Oc1ccc(cn1)Cl
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| HSPA2 |
3I33 |
A |
0 |
-11.27552 |
| KDM4C |
4XDO |
A |
0 |
-10.60293 |
| KDM1A |
2IW5 |
A |
0 |
-10.52864 |
| TOP2A |
1ZXN |
C |
0 |
-10.46289 |
| TOP2A |
1ZXM |
B |
0 |
-10.3474 |
| HPRT1 |
1BZY |
A |
0 |
-10.33313 |
| SIRT1 |
4KXQ |
A |
0 |
-10.32001 |
| KDM5B |
5A3N |
A |
0 |
-10.29397 |
| PC |
3BG3 |
D |
0 |
-10.234589999999999 |
| HSPA1A |
3AY9 |
A |
0 |
-10.228530000000001 |
| PARP1 |
4DQY |
C |
0 |
-10.224739999999999 |
| DTYMK |
1E2F |
A |
0 |
-10.17125 |
| KDM5B |
5A3N |
A |
1 |
-10.102730000000001 |
| AKR1C2 |
1XJB |
A |
0 |
-10.10257 |
| SULT1A3 |
2A3R |
A |
0 |
-10.08875 |
| VDR |
3AZ3 |
A |
0 |
-10.03482 |
| NNMT |
2IIP |
A |
0 |
-9.99588 |
| TH |
2XSN |
D |
0 |
-9.93576 |
| KEAP1 |
1U6D |
X |
0 |
-9.910919999999999 |
| PARP1 |
4ZZZ |
A |
0 |
-9.90788 |
| AK1 |
1Z83 |
B |
0 |
-9.88336 |
| CYP1A1 |
4I8V |
A |
0 |
-9.87968 |
| GNPDA1 |
1NE7 |
A |
0 |
-9.86207 |
| KEAP1 |
3VNG |
A |
0 |
-9.842089999999999 |
| AMD1 |
1MSV |
B |
1 |
-9.80679 |
| MTAP |
3OZC |
A |
0 |
-9.80395 |
| RAB5A |
1N6O |
A |
1 |
-9.79557 |
| MMP2 |
1CK7 |
A |
0 |
-9.79238 |
| GMDS |
1T2A |
A |
0 |
-9.77033 |
| NR1H2 |
4NQA |
I |
0 |
-9.76324 |
| TXNRD1 |
3QFB |
A |
0 |
-9.74709 |
| WARS |
1R6T |
A |
0 |
-9.714939999999999 |
| PARP1 |
1UK0 |
A |
0 |
-9.7075 |
| PC |
3BG3 |
A |
0 |
-9.7031 |
| NT5C2 |
2XCW |
A |
1 |
-9.69134 |
| PARP1 |
4OPX |
A |
0 |
-9.6577 |
| WDR61 |
3OW8 |
C |
0 |
-9.651489999999999 |
| SGK1 |
2R5T |
A |
0 |
-9.64845 |
| GNAI3 |
2ODE |
C |
0 |
-9.63692 |
| NT5E |
4H2I |
A |
0 |
-9.63413 |
| GSR |
3DJJ |
A |
0 |
-9.6283 |
| TRAP1 |
4Z1I |
B |
0 |
-9.62283 |
| TK1 |
1W4R |
A |
0 |
-9.59591 |
| LIG3 |
3L2P |
A |
0 |
-9.588330000000001 |
| AIFM1 |
4LII |
A |
0 |
-9.58733 |
| GALE |
1I3K |
A |
0 |
-9.585519999999999 |
| CDK2 |
4GCJ |
A |
0 |
-9.583739999999999 |
| GNAI1 |
3UMS |
A |
1 |
-9.56747 |
| POLG |
3IKM |
D |
4 |
-9.543330000000001 |
| MAT2B |
4KTV |
E |
0 |
-9.52885 |
| GCDH |
1SIQ |
A |
0 |
-9.525360000000001 |
| PCSK9 |
2P4E |
A |
1 |
-9.5163 |
| CTBP2 |
2OME |
A |
0 |
-9.51326 |
| ITGA4 |
4IRZ |
A |
0 |
-9.51271 |
| ALB |
1N5U |
A |
0 |
-9.50361 |
| RPS6KA5 |
1VZO |
A |
0 |
-9.4853 |
| KIF11 |
3HQD |
A |
0 |
-9.46376 |
| HSD17B4 |
1ZBQ |
A |
0 |
-9.45677 |
| ABL1 |
2G2H |
A |
0 |
-9.44941 |
| RAB1B |
3NKV |
A |
0 |
-9.43794 |
| AHCY |
1A7A |
A |
0 |
-9.433819999999999 |
| RARB |
4DM8 |
B |
1 |
-9.430760000000001 |
| GNE |
2YHW |
A |
0 |
-9.42862 |
| RALA |
1ZC3 |
A |
0 |
-9.42193 |
| MUT |
2XIQ |
A |
0 |
-9.4111 |
| AP1B1 |
4HMY |
B |
0 |
-9.399519999999999 |
| GGT1 |
4GDX |
B |
0 |
-9.387139999999999 |
| NTRK1 |
4PMM |
A |
0 |
-9.38674 |
| ABL1 |
2FO0 |
A |
0 |
-9.381910000000001 |
| PARP2 |
3KCZ |
A |
0 |
-9.38161 |
| PAH |
2PAH |
A |
0 |
-9.38062 |
| KIF11 |
4BXN |
A |
0 |
-9.37461 |
| NEK2 |
2W5A |
A |
0 |
-9.371410000000001 |
| MLH1 |
4P7A |
A |
0 |
-9.34445 |
| RXRA |
4NQA |
H |
0 |
-9.33907 |
| NPC1 |
3GKH |
A |
0 |
-9.3373 |
| NR1H3 |
3IPU |
A |
0 |
-9.32996 |
| SPR |
1Z6Z |
A |
0 |
-9.32266 |
| BRAF |
3SKC |
B |
0 |
-9.31505 |
| CLTC |
2XZG |
A |
0 |
-9.310369999999999 |
| ALDH5A1 |
2W8N |
A |
0 |
-9.302439999999999 |
| CDK2 |
4CFV |
A |
0 |
-9.29579 |
| NMT1 |
3IU1 |
B |
0 |
-9.29562 |
| PFKFB3 |
2AXN |
A |
1 |
-9.29519 |
| NRAS |
3CON |
A |
0 |
-9.293619999999999 |
| ACAD8 |
1RX0 |
A |
0 |
-9.29293 |
| ULK1 |
5CI7 |
A |
0 |
-9.2863 |
| LTA4H |
1HS6 |
A |
0 |
-9.27948 |
| CAT |
1DGH |
C |
1 |
-9.275960000000001 |
| CXCR4 |
3ODU |
A |
0 |
-9.2716 |
| CBR1 |
1WMA |
A |
0 |
-9.27158 |
| PIK3CG |
3IBE |
A |
0 |
-9.269260000000001 |
| MAPK8 |
4QTD |
A |
0 |
-9.26876 |
| RHEB |
3T5G |
A |
0 |
-9.26699 |
| GGCT |
3CRY |
A |
0 |
-9.26131 |
| CALM1 |
4LZX |
A |
1 |
-9.26003 |
| GYG1 |
3T7M |
A |
0 |
-9.25845 |
| RARG |
1EXA |
A |
0 |
-9.24718 |
| PPP3CB |
4OR9 |
A |
0 |
-9.2428 |
| PCSK9 |
2P4E |
A |
0 |
-9.242289999999999 |
DrugQuery