Compound 10


Smiles:

CCCCCCCCCCCCCCC.CCCCCCC/C=C/CCCCC[C@]12[C@H](C)C[C@H]3CC[C@]42[C@@H]1CC[C@H]3CCCC[C@@H](CC)[C@H](CCCC)CCCCCCC[C@@H]1[C@@H](CCCCCCCCC4)C[C@H]([C@@H]1CCCCC)CCCC.CCCCCCCCCCCCCCCCCCCCCC.CCC.CC.CC.CC.CC.CC.C.C.C

Current docking status:

Idle

Top 100 Predicted Targets

(takes longer)

Gene Pdb Chain Pocket Score
SERPINA5 3DY0 A 0 -14.371579999999998
NEK2 2W5A A 0 -13.504729999999999
SERPINA1 3NDD A 0 -12.98907
GSK3B 4NM5 A 0 -12.94715
LYN 3A4O X 0 -12.800460000000001
SERPINA7 2XN5 A 0 -12.63814
SMYD3 3PDN A 0 -12.53705
IL10 2ILK A 0 -12.523810000000001
EGFR 3W32 A 0 -12.46814
JAK2 4JIA A 0 -12.43108
GM2A 1PU5 A 0 -12.16827
ERBB4 3BCE B 0 -12.07974
GSR 3DJJ A 0 -11.84488
CSNK2A2 3U87 A 0 -11.73364
LCK 2OFU A 0 -11.70249
GAPDH 3GPD G 0 -11.69582
SUPV3L1 3RC8 A 0 -11.6787
BCL2L1 3SP7 A 0 -11.66124
RAE1 3MMY C 0 -11.653939999999999
NFYB 4CSR A 0 -11.60705
BACE2 3ZKQ A 0 -11.60277
SRC 1Y57 A 0 -11.574869999999999
FGFR1 5AM6 A 0 -11.53369
IL5 3QT2 C 0 -11.494019999999999
PPP3R1 4F0Z B 0 -11.49186
IQGAP1 3FAY A 0 -11.40698
CLK1 1Z57 A 0 -11.404689999999999
NMT1 1RXT A 0 -11.34479
NT5E 4H1Y P 0 -11.34335
HINT1 3TW2 A 0 -11.32678
PECR 1YXM A 0 -11.31348
SIRT1 5BTR A 0 -11.31124
DAPK3 3BQR A 0 -11.20865
STK10 5AJQ A 0 -11.15452
NUP133 1XKS A 0 -11.08779
EPHA3 2QOQ A 0 -11.0684
PAH 2PAH A 0 -11.052710000000001
SYK 4RX7 A 0 -11.05229
CHEK2 2YCF A 0 -11.00818
MMP2 3AYU A 0 -10.996369999999999
GNAS 3SN6 A 0 -10.83855
PROCR 1LQV B 0 -10.74659
FIS1 1NZN A 0 -10.73751
SLC2A1 4PYP A 0 -10.70612
BCL2L2 4CIM A 0 -10.69923
RHOA 3LW8 A 0 -10.69631
IL5 3VA2 B 0 -10.692110000000001
GMDS 1T2A A 0 -10.672410000000001
BLMH 2CB5 A 0 -10.66772
AKR1B1 3RX2 A 0 -10.64712
IGF1R 1P4O B 0 -10.63312
KDM4C 2XDP A 0 -10.611139999999999
GAPDH 4WNC C 0 -10.6053
GGT1 4GDX A 0 -10.56171
TLE1 1GXR A 0 -10.560089999999999
TIMP3 3CKI B 0 -10.49083
DAPK1 2X0G A 0 -10.4794
CASK 1KGD A 0 -10.47578
JMJD6 3K2O B 0 -10.410160000000001
ROS1 4UXL A 0 -10.40494
STK25 2XIK A 0 -10.39997
SERPINC1 2ZNH B 0 -10.37019
ACACB 3JRW A 0 -10.349210000000001
BAK1 4U2U A 0 -10.34179
HDAC4 2VQM A 0 -10.32294
DAPK1 2W4K A 0 -10.32053
ST14 3NCL A 0 -10.27568
AGTR1 4YAY A 0 -10.27402
DTYMK 1E2F A 0 -10.273710000000001
CES1 2H7C A 0 -10.269260000000001
XRCC6 1JEQ A 0 -10.24727
C3 2ICE A 0 -10.224269999999999
TSTA3 4BKP C 0 -10.21418
CDK6 1BLX A 0 -10.19492
ADAM17 2OI0 A 0 -10.186689999999999
CAMK2D 2VN9 A 0 -10.17195
SIRT2 1J8F A 0 -10.16112
TXNRD1 3QFB A 0 -10.12814
CTSH 1NB3 A 0 -10.1237
GRB2 2H46 E 0 -10.11658
KDR 3EWH A 0 -10.10675
CFD 2XW9 A 0 -10.09915
MEN1 4GQ4 A 0 -10.08954
AK4 2BBW A 0 -10.08268
S100B 3D10 A 0 -10.05382
NUDT5 2DSB A 0 -10.04846
CASP7 1GQF A 0 -10.01827
GGT1 4GDX B 0 -10.0053
TGFBR1 2WOT A 0 -10.00185
CSNK2A2 3OFM A 0 -9.99907
CISD1 4EZF A 0 -9.99676
LCN2 4QAE B 0 -9.98277
MAPK8 4QTD A 0 -9.94843
GLA 3HG3 A 0 -9.928139999999999
XPNPEP1 3CTZ A 0 -9.89842
EPHA3 3FXX A 0 -9.869819999999999
F2 3P6Z B 0 -9.83772
GRHPR 2GCG A 0 -9.82162
LNPEP 4P8Q A 1 -9.80337
RBPJ 2F8X C 0 -9.78288