Compound 29


Smiles:

Clc1cccc(c1)C(=O)[C@@H](NC(C)(C)C)C

Current docking status:

Idle

Top 100 Predicted Targets

(takes longer)

Gene Pdb Chain Pocket Score
PARP10 3HKV A 0 -8.60999
ALB 1N5U A 4 -8.51955
NOS3 3EAH B 0 -8.23963
MGLL 3PE6 A 0 -8.23602
NNMT 2IIP A 0 -8.217030000000001
LTA4H 1HS6 A 0 -8.20169
HINT1 3TW2 A 0 -8.14596
KDM4B 4LXL A 0 -8.12882
KDM4C 4XDO A 0 -8.11411
CYP1A1 4I8V A 0 -8.089739999999999
NR1H3 3IPQ A 0 -8.08712
NR1H2 4NQA I 0 -8.06832
TRAPPC3 1SZ7 A 0 -8.06076
B2M 4IIQ C 1 -8.01365
IDE 2G49 A 1 -7.98985
PROCR 1LQV B 0 -7.988239999999999
HPRT1 1BZY A 0 -7.97598
GYG1 3T7M A 0 -7.94234
CDK6 1XO2 B 0 -7.9176
BRAF 4H58 C 0 -7.911169999999999
EIF2AK3 4X7K A 0 -7.87085
HNMT 2AOT A 0 -7.853739999999999
SULT2B1 1Q20 A 0 -7.847589999999999
ABL1 2G2H A 0 -7.84425
SIRT1 4KXQ A 0 -7.83679
AKT1 4EJN A 0 -7.797389999999999
TNIK 2X7F B 0 -7.79196
KDM5B 5A3N A 0 -7.78745
HSPA2 3I33 A 0 -7.7848
RARG 1EXA A 0 -7.7820100000000005
ABL1 2FO0 A 0 -7.74505
NOS3 4D1O A 0 -7.74194
PDK2 4MP7 A 3 -7.741680000000001
TNKS2 4HYF A 0 -7.73525
NR1H2 4NQA B 0 -7.719110000000001
TEAD2 3L15 B 0 -7.715139999999999
CDK1 4Y72 A 0 -7.71495
RARB 4DM6 A 0 -7.7114899999999995
ERBB2 3PP0 B 0 -7.707660000000001
TIMP3 3CKI B 0 -7.69383
KDM1A 2IW5 A 0 -7.69335
CFD 2XW9 A 0 -7.69113
APOM 2WEW A 0 -7.68717
NT5C2 2XCW A 1 -7.68451
VDR 3AZ3 A 0 -7.68071
PAH 1MMK A 0 -7.6593
USP7 1NBF A 1 -7.656339999999999
KIF11 4BXN A 0 -7.64525
WEE1 1X8B A 0 -7.642639999999999
SULT1A3 2A3R A 0 -7.63823
NMT1 3IU1 B 0 -7.6222199999999996
AKR1B1 3RX2 A 0 -7.620889999999999
DTYMK 1E2F A 0 -7.61905
KARS 3BJU A 0 -7.618539999999999
ALB 1N5U A 2 -7.60767
DHRS4 3O4R A 0 -7.597360000000001
HSPA1A 3AY9 A 0 -7.5865
ALDH7A1 4ZUK A 0 -7.58335
CES1 2H7C A 1 -7.57662
CCNB1 4Y72 B 0 -7.575189999999999
AP1B1 4HMY B 1 -7.57264
HMGCS2 2WYA A 0 -7.571439999999999
ADRB2 3PDS A 0 -7.56568
TH 2XSN D 0 -7.56003
RARB 4DM8 B 1 -7.55813
HMGCS1 2P8U A 0 -7.55307
FYN 2DQ7 X 0 -7.550269999999999
EPRS 4HVC B 0 -7.5492300000000006
ALDH4A1 3V9G A 0 -7.542669999999999
TGFBR1 2WOT A 0 -7.53873
CCND3 3G33 B 0 -7.53309
VDR 1IE9 A 0 -7.532430000000001
FFAR1 4PHU A 1 -7.5309800000000005
GMDS 1T2A A 0 -7.530589999999999
POLG 3IKM D 1 -7.51824
NEK2 2W5A A 3 -7.515680000000001
PLCB3 4GNK B 0 -7.50312
RARA 3KMR A 2 -7.49315
CCNA2 3DDQ D 0 -7.48574
POLG 3IKM D 4 -7.48556
PRKACA 4WB7 A 0 -7.483630000000001
CTLA4 2X44 D 0 -7.48205
IDE 3CWW A 1 -7.4802100000000005
FLT4 4BSK A 0 -7.48005
WARS 1R6T A 0 -7.47774
RIPK1 4ITJ B 0 -7.474589999999999
NT5E 4H2I A 0 -7.46581
FGFR1 4WUN A 0 -7.45896
GGCT 3CRY A 0 -7.4573100000000005
METAP2 2OAZ A 0 -7.453189999999999
CLK1 1Z57 A 0 -7.4501100000000005
PIK3R1 4YKN A 1 -7.4486
ARF1 4HMY C 2 -7.44786
CES1 2H7C A 3 -7.44746
YARS 1N3L A 0 -7.445010000000001
RET 4CKJ A 0 -7.44376
ALB 4K71 A 3 -7.43927
SERPINA5 3DY0 A 1 -7.435960000000001
PDK1 2Q8G A 1 -7.42501
VDAC1 2JK4 A 1 -7.42174