Compound 14


Smiles:

OC[C@@H]([C@H](Oc1nc(SCc2cccc(c2F)F)nc(c1)NS(=O)(=O)N1CCC1)C)O

Current docking status:

Idle

Top 100 Predicted Targets

(takes longer)

Gene Pdb Chain Pocket Score
SULT2B1 1Q20 A 0 -11.21585
PAH 1MMK A 0 -11.21394
HPRT1 1BZY A 0 -11.1063
RAB7A 1T91 A 0 -11.02487
GNPDA1 1NE7 A 0 -10.977319999999999
RAN 4HAT A 0 -10.9543
ALB 1N5U A 2 -10.77462
SULT1A3 2A3R A 0 -10.67411
HRAS 1LFD B 0 -10.4411
RALA 1ZC3 A 0 -10.41072
NR1H3 3IPQ A 0 -10.404
NR1H2 4NQA I 0 -10.38986
KARS 3BJU A 0 -10.33527
RAB1B 3NKV A 0 -10.31307
KDM4C 4XDO A 0 -10.30482
KEAP1 3VNG A 0 -10.29722
TOP1 1SEU A 0 -10.281419999999999
CTBP2 2OME A 0 -10.26947
POLG 3IKM D 1 -10.2596
NT5E 4H2I A 0 -10.24393
NR1H2 4NQA B 0 -10.22147
TH 2XSN D 0 -10.20198
ACADSB 2JIF A 0 -10.18907
KDM5B 5A3N A 0 -10.18332
KRAS 4DSO A 1 -10.16665
PARP2 3KCZ A 0 -10.10717
CAT 1DGH C 1 -10.106860000000001
TOP1 1RR8 C 0 -10.10636
HPGD 2GDZ A 0 -10.09457
GSR 3DJJ A 0 -10.07081
GNAI3 2ODE C 0 -10.05331
RAB21 1Z08 C 0 -10.01853
CLTC 2XZG A 0 -10.0147
CDK1 4Y72 A 0 -10.00981
WARS 1ULH B 0 -10.00566
TOP2A 1ZXM B 0 -9.999080000000001
PARP1 4ZZZ A 0 -9.96825
SERPINB2 2ARQ A 0 -9.94992
AIFM1 4LII A 0 -9.947339999999999
WARS 1R6T A 0 -9.94096
CYP1A1 4I8V A 0 -9.931989999999999
DTYMK 1E2F A 0 -9.92537
EP300 4BHW A 0 -9.91959
NT5C2 2XCW A 1 -9.91588
PDPK1 3QC4 B 0 -9.89536
TOP2A 1ZXN C 0 -9.87704
PARP1 1UK0 A 0 -9.85862
WARS 1R6U A 0 -9.85851
PPARG 3TY0 A 0 -9.85267
PFKFB3 2AXN A 0 -9.85142
GNAI1 3UMS A 1 -9.84721
TLE1 1GXR A 0 -9.83385
CBS 4COO A 0 -9.82916
ITGA4 4IRZ A 0 -9.829080000000001
KDM4B 4LXL A 0 -9.82285
MMP2 1CK7 A 0 -9.81867
PFKFB3 2AXN A 1 -9.815339999999999
ALB 1N5U A 1 -9.8068
PCSK9 2P4E A 1 -9.79229
AK1 1Z83 B 0 -9.77453
HINT1 3TW2 A 0 -9.757060000000001
TYK2 4WOV A 0 -9.757010000000001
TNKS2 4HYF A 0 -9.75699
EPRS 4HVC B 0 -9.75206
GCDH 1SIQ A 0 -9.75085
NR5A2 4RWV A 0 -9.744069999999999
RARB 4DM6 A 0 -9.74207
TKT 4KXV A 1 -9.728530000000001
DAPK1 2W4K A 0 -9.71439
ACAD8 1RX0 A 0 -9.71429
PYGL 1FA9 A 0 -9.70782
LDLR 1IJQ A 0 -9.69674
F2 4CH8 H 0 -9.69012
MTAP 3OZC A 0 -9.68803
CFD 2XW9 A 0 -9.68179
CANT1 1S18 A 0 -9.67755
DDAH1 2JAJ B 0 -9.67645
PCSK9 2P4E A 0 -9.665460000000001
HSPA2 3I33 A 0 -9.66119
LIG3 3L2P A 0 -9.639569999999999
LTA4H 1HS6 A 0 -9.6394
EP300 4PZS A 0 -9.63659
PPARG 3E00 D 0 -9.63616
BRAF 3SKC B 0 -9.63415
NNMT 2IIP A 0 -9.62888
ALB 1N5U A 4 -9.61
NR1H3 3IPU A 0 -9.60793
CDK7 1UA2 A 0 -9.59233
NOS3 3EAH B 0 -9.58957
CDK2 4CFV A 0 -9.58257
RORC 4YMQ A 0 -9.57882
RAB5A 1N6O A 1 -9.5776
CDK6 1XO2 B 0 -9.5727
ADRB2 4GBR A 0 -9.56018
TRAP1 4Z1I B 0 -9.53577
C5 4A5W A 1 -9.53432
KIF11 4BXN A 0 -9.527289999999999
F2 1BBR K 0 -9.52357
PYGL 3DDS A 0 -9.52135
SIRT3 3GLR A 0 -9.5208