Table 6.

The coordinates of the grid boxes used in the docking studies of MMZ compounds to currently investigated anticancer drug targets together with their PDB codes.

Drug Target	PDB Code	x-D	y-D	z-D	Spacing (Ả)	x Center	y Center	z Center
AKT1	6CCY	40	50	48	0.425	−9.801	15.312	−31.398
AURKB	4AF3	40	50	40	0.408	21.226	−21.921	−10.221
CDK1	6GU6	40	40	40	0.469	23.159	21.848	−2.268
CDK2	2FVD	40	40	40	0.397	1.231	28.133	8.792
EGFR	7VRA	40	40	40	0.397	50.153	1.467	−19.629
FGFR	5AM6	40	40	48	0.392	217.536	−7.806	24.459
FLT3	4RT7	40	50	48	0.425	−38.825	11.685	−15.423
JAK2	2B7A	40	40	40	0.419	114.221	64.945	10.271
JAK3	3PJC	40	50	40	0.403	8.857	−5.345	10.707
PLK1	3FC2	40	50	40	0.431	47.588	−5.939	9.028
PRKCQ	4Q9Z	40	50	40	0.408	21.315	−8.295	−8.006
RIPK2	5W5O	40	50	48	0.431	−1.027	16.243	94.25
ADORA1	6D9H	40	50	48	0.419	92.16	120.297	92.496
BACE1	4IVT	40	50	40	0.414	22.376	22.871	0.873
BACE2	2EWY	40	40	40	0.442	106.825	24.801	2.867
LTA4H	5N3W	40	50	48	0.431	11.962	−1.41	0.812
CAPN1	2NQG	40	40	40	0.419	13.64	8.089	−21.839
MMP16	1RM8	40	40	40	0.431	0.381	3.249	48.361
PDE2A	5U7D	40	50	48	0.408	14.119	6.752	19.46
PDE5	2H42	40	40	40	0.408	30.79	119.342	11.038
PDE4B	4KP6	40	50	40	0.386	−41.761	91.222	114.399
PDE7A	4PM0	40	50	40	0.403	−45.444	25.125	1.399
PDE10A	3WI2	40	50	40	0.414	20.523	3.048	58.144
HSD17B2	3HB4	40	42	40	0.408	11.394	6.482	−10.657
IDH1	5LGE	40	42	40	0.392	−29.141	−99.881	25.215
LDHA	6MV8	40	40	40	0.414	40.266	14.748	27.266
CYP11B1	6M7X	40	40	40	0.397	51.53	−45.46	−6.116
CYP11B2	4ZGX	40	42	40	0.419	60.088	−54.484	115.987
STAT3	6NUQ	44	60	44	0.403	13.619	54.024	−0.083
SMARCA2	5DKH	40	42	40	0.386	−12.258	38.92	7.45
UQCRB	5NMI	40	40	40	0.403	39.838	15.607	1.039
MCL1	5FDR	40	42	40	0.403	37.551	1.085	19.468
APE1	6BOW	66	66	66	0.731	9.292	−30.663	−0.237
BCHE	5LKR	40	42	40	0.408	−41.505	50.849	−12.665
C5AR	6C1R	40	40	40	0.403	12.846	1.777	−45.271
CAPN1	1ZCM	40	40	40	0.386	−21.825	5.536	34.882
CHRM4	5DSG	40	42	40	0.392	50.41	8.435	63.576
CHRM5	6OL9	40	40	40	0.431	35.173	23.793	−40.677
CHRNA4	6UR8	40	40	40	0.403	124.113	145.382	189.741
CK	6TLS	44	44	44	0.403	77.273	7.948	21.258
CLK4	6FYV	40	40	40	0.414	−28.205	22.947	−18.2
COX2	5F19	40	42	40	0.436	27.852	30.441	63.17
CPAR	6C1R	40	40	40	0.403	12.846	1.777	−45.271
CPSD	4OD9	44	44	44	0.408	−3.204	12.697	−34.841
CYP3A4	5VCC	40	40	40	0.425	−23.77	−27.5	−11.384
DUSP3	3F81	40	42	40	0.397	−0.908	0.681	−6.463
FPR2	6OMM	40	40	40	0.486	116.151	131.184	111.263
GLUT1	6THA	40	40	40	0.392	18.054	59.12	11.134
GNAI1	6N4B	40	40	40	0.397	92.223	131.93	120.478
HADH2	2O23	40	42	40	0.414	19.88	13.935	−12.26
HERG	5VA1	100	82	108	1.000	93.575	57.237	60.469
MDM4	6Q9Y	40	40	40	0.392	−5.108	10.302	−14.609
NFKB1	1SVC	48	58	58	0.394	28.358	17.443	43.771
NR1A1	3ILZ	40	42	40	0.425	28.128	38.913	32.411
NR1I2	6TFI	40	40	40	0.403	51.713	36.805	15.99
PRCP	3N2Z	80	84	96	0.686	51.603	32.164	72.575
PSMA2	6KWY	40	40	40	0.436	238.36	189.562	104.143
SLC1A3	5LM4	40	42	40	0.397	−476.806	301.433	12.118
TDP1	6N0D	40	40	40	0.392	8.387	−14.555	−34.733
TRIM24	4YBM	44	44	44	0.347	36.436	−18.263	−32.015