Compound 11


Smiles:

c1cnc2c(c1)C[C@]1(O2)CN2CC[C@H]1CC2

Current docking status:

Idle

Top 100 Predicted Targets

(takes longer)

Gene Pdb Chain Pocket Score
NT5C2 2XCW A 1 -9.97606
SULT1A3 2A3R A 0 -9.290189999999999
NR1H3 3IPQ A 0 -9.168460000000001
NR1H2 4NQA I 0 -9.141169999999999
HINT1 3TW2 A 0 -9.101519999999999
AP1B1 4HMY B 1 -8.94609
VDAC1 2JK4 A 1 -8.94576
CES1 2H7C A 1 -8.93169
GALE 1I3K A 1 -8.90772
RAMP1 4RWG B 0 -8.889560000000001
GUSB 3HN3 B 1 -8.86079
KDM4C 4XDO A 0 -8.83837
NR1H2 4NQA B 0 -8.8147
RARG 1EXA A 0 -8.766919999999999
AKR1C2 1XJB A 0 -8.66305
LIG3 3L2P A 0 -8.65949
CCNB1 4Y72 B 0 -8.6436
MTAP 3OZC A 0 -8.58969
NOS3 4D1O A 0 -8.574589999999999
NMT1 3IU1 B 0 -8.55615
VDR 3AZ3 A 0 -8.526760000000001
ABL1 2FO0 A 0 -8.51344
PLCB3 4GNK B 0 -8.49502
POLG 3IKM D 4 -8.49193
NPC1 3GKH A 0 -8.48982
FLT1 3HNG A 0 -8.47515
NOS3 3EAH B 0 -8.4673
NR1H3 3IPU A 0 -8.45606
PRKACA 4WB7 A 0 -8.448310000000001
EP300 4PZS A 0 -8.44407
SRM 2O06 A 0 -8.434660000000001
TH 2XSN D 0 -8.42122
AKR1B1 3RX2 A 0 -8.41587
SEC24D 3EFO B 0 -8.40423
HPRT1 1BZY A 0 -8.39165
HNMT 2AOT A 0 -8.36979
HMGCS2 2WYA A 0 -8.36841
KIF11 4BXN A 0 -8.35459
AKT1 4EJN A 0 -8.34328
KARS 3BJU A 0 -8.34277
AP1B1 4HMY B 0 -8.33347
RARB 4DM6 A 0 -8.31415
PLA2G2A 1KVO A 0 -8.31119
POLG 3IKM D 3 -8.29759
TNIK 2X7F B 0 -8.2972
RIPK1 4ITJ B 0 -8.29702
VDR 1IE9 A 0 -8.29674
NTRK1 4PMM A 0 -8.294780000000001
TNKS2 4HYF A 0 -8.2865
PTPRG 2NLK A 0 -8.26952
NEK2 2W5A A 3 -8.264439999999999
FLT4 4BSK A 0 -8.26282
PARP1 4OPX A 0 -8.25394
MAPK14 3OD6 X 1 -8.246360000000001
HMGCS1 2P8U A 0 -8.239360000000001
ABL1 2G2H A 0 -8.23877
RARB 4DM8 B 1 -8.23058
BRAF 4H58 C 0 -8.221260000000001
RXRA 4NQA H 0 -8.22003
CDK1 4Y72 A 0 -8.20749
LDLR 1N7D A 0 -8.20471
KEAP1 3VNG A 0 -8.20088
PROCR 1LQV B 0 -8.195269999999999
ALDH7A1 4ZUK A 0 -8.187660000000001
AMD1 1MSV B 1 -8.18621
PNP 4EAR B 0 -8.18488
TEAD2 3L15 B 0 -8.17733
RXRA 4J5X D 1 -8.17725
HSPA2 3I33 A 0 -8.1694
DTYMK 1E2F A 0 -8.15365
SERPINA5 3DY0 A 0 -8.15183
PDPK1 3QC4 B 0 -8.149289999999999
PDPK1 1W1H B 1 -8.14157
ERO1L 3AHR A 1 -8.1369
ADAM17 2OI0 A 0 -8.12615
HPGD 2GDZ A 0 -8.12322
ACADSB 2JIF A 0 -8.11742
CBS 4COO A 0 -8.1142
PDK2 4MP7 A 3 -8.09987
ESR1 2QAB B 0 -8.0984
MMP2 1CK7 A 3 -8.09507
PAH 1MMK A 0 -8.08998
PFKFB3 2AXN A 1 -8.085280000000001
AIM2 3VD8 A 0 -8.082939999999999
ULK1 5CI7 A 0 -8.08118
PIK3CA 3ZIM A 0 -8.07925
TEAD1 3KYS C 0 -8.07623
POLG2 3IKM C 0 -8.07435
KRAS 4DSO A 1 -8.071710000000001
SERPIND1 1JMJ A 1 -8.065439999999999
LYPLA1 1FJ2 A 2 -8.063930000000001
GNAI1 4G5Q D 0 -8.06216
DCK 1P60 A 0 -8.06202
KEAP1 1U6D X 0 -8.05677
ALDH1A1 4WP7 A 0 -8.043239999999999
CDK16 3MTL A 0 -8.03919
CDK6 1XO2 B 0 -8.037180000000001
AHCY 1A7A A 0 -8.03079
WEE1 1X8B A 0 -8.02944
HMOX2 2QPP B 0 -8.0274