Compound 3


Smiles:

CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F

Current docking status:

Idle

Top 100 Predicted Targets

(takes longer)

Gene Pdb Chain Pocket Score
BRAF 4H58 C 0 -12.45631
AKR1C2 1XJB A 0 -12.377369999999999
DHRS4 3O4R A 0 -12.02095
FLT1 3HNG A 0 -11.8461
SERPINA5 3DY0 A 0 -11.81691
SIRT1 4KXQ A 0 -11.72872
NNMT 2IIP A 0 -11.71221
HINT1 3TW2 A 0 -11.655289999999999
NMT1 3IU1 B 0 -11.6425
HPGD 2GDZ A 0 -11.52276
BRAF 3SKC B 0 -11.501660000000001
PARP2 3KCZ A 0 -11.49036
KDM1A 2IW5 A 0 -11.328289999999999
PROCR 1LQV B 0 -11.32167
ADRB2 4GBR A 0 -11.28663
HPRT1 1BZY A 0 -11.27844
B2M 4IIQ C 1 -11.25942
VDR 1IE9 A 0 -11.24285
NOS3 4D1O A 0 -11.23065
AIM2 3VD8 A 0 -11.22594
NAA50 2OB0 C 0 -11.204
PYGL 3DDS A 0 -11.20341
MAPK3 4QTB A 0 -11.18807
TRAPPC3 1SZ7 A 0 -11.17516
GMDS 1T2A A 0 -11.16442
CTBP2 2OME A 0 -11.16175
NR1H4 3OKI A 0 -11.152569999999999
GGT1 4GDX B 0 -11.14413
ALB 1N5U A 4 -11.143989999999999
AKR1B1 3RX2 A 0 -11.13681
CDK2 4GCJ A 0 -11.13286
ACADSB 2JIF A 0 -11.10652
VDR 3AZ3 A 0 -11.10188
CYP1A1 4I8V A 0 -11.085980000000001
KDM4C 4XDO A 0 -11.073260000000001
GLA 3HG3 A 0 -11.0695
AKT1 4EJN A 0 -11.05279
ECI1 1SG4 B 0 -10.993
ALB 1N5U A 1 -10.990639999999999
RXRA 4NQA H 0 -10.978660000000001
AIFM1 4LII A 0 -10.97083
TYK2 4WOV A 0 -10.96461
SMYD3 3PDN A 0 -10.961739999999999
NEK2 2W5A A 0 -10.95156
ITGA4 4IRZ A 0 -10.942960000000001
SERPINB2 2ARQ A 0 -10.938180000000001
NT5E 4H2I A 0 -10.935030000000001
PDPK1 3QC4 B 0 -10.90344
GGPS1 2Q80 A 0 -10.89312
PARP1 1UK0 A 0 -10.88831
NOS3 3EAH B 0 -10.88621
PITPNA 1UW5 A 0 -10.883289999999999
ACADS 2VIG E 0 -10.8779
MUT 2XIQ A 0 -10.86696
KDR 4ASE A 0 -10.86229
MAPK8 4QTD A 0 -10.851230000000001
PCSK9 3P5C A 1 -10.83274
HSD17B4 1IKT A 0 -10.82698
TYK2 4PO6 A 0 -10.82104
GCDH 1SIQ A 0 -10.81683
PDE4D 3G58 D 0 -10.81563
RRM1 3HNC B 0 -10.81352
SULT1A3 2A3R A 0 -10.80232
ACVR1 4C02 A 0 -10.796380000000001
TOP2A 1ZXM B 0 -10.787189999999999
UGDH 2Q3E A 0 -10.78651
EP300 4BHW A 0 -10.780339999999999
HNMT 2AOT A 0 -10.78004
ACAD8 1RX0 A 0 -10.754439999999999
SPR 1Z6Z A 0 -10.73057
TOP1 1RR8 C 0 -10.729389999999999
NAT1 2PQT A 0 -10.7197
TBK1 4EUU A 0 -10.71515
EIF2AK3 4X7K A 0 -10.7145
PLA2G15 4X90 A 0 -10.707230000000001
DTYMK 1E2F A 0 -10.69772
ALDH1A1 4WP7 A 0 -10.68498
ITGAV 3IJE A 0 -10.67699
MAT2B 2YDX A 0 -10.67384
PPARG 3TY0 A 0 -10.66785
TBK1 4IW0 A 1 -10.66414
NR1H2 4NQA I 0 -10.655289999999999
TOP1 1SEU A 0 -10.64434
PIM1 3F2A A 0 -10.636560000000001
SERPINC1 2ZNH B 0 -10.632769999999999
FES 3BKB A 0 -10.62427
TOP2A 1ZXN C 0 -10.62049
SRC 2SRC A 0 -10.6204
PCSK9 2P4E A 1 -10.6176
PARP1 4ZZZ A 0 -10.60472
POLQ 5AGA A 2 -10.60389
LTA4H 1HS6 A 0 -10.598989999999999
CDK6 1G3N A 0 -10.59567
GYG1 3T7M A 0 -10.59408
KDR 3EWH A 0 -10.5777
TLR2 2Z7X A 0 -10.563460000000001
COMT 4PYK A 0 -10.56002
PTGR1 1ZSV A 0 -10.55884
JAK2 4FVQ A 0 -10.55759
ABL1 2G2H A 0 -10.534419999999999