3.

22种针对COVID-19疾病靶标信息和对接结果

Detailed information and docking results of the 22 disease target for COVID-19

No.	Name	Uniprot-id	PDB-id	Threshold for docking score	No. of hit
1	NR1I2	O75469	1NRL	-7.38	64
2	3CL hydrolase (MPRO)	-	6LU7	-3.86	63
3	CASP1	P29466	1SC3	-4.27	62
4	PDE4B	Q07343	2CHM	-7.44	60
5	PDE10A	Q9Y233	2OUN	-6.21	53
6	PTGS1	P05979	6Y3C	-8.02	51
7	PTGS2	P35354	5IKR	-8.03	44
8	GSTA2	P09210	4ACS	-6.61	43
9	HSP90AA1	P07900	1OSF	-3.36	43
10	DPP4	P27487	2IIV	-5.15	43
11	AR	P10275	1T65	-8.19	40
12	GST	Q8MU52	4ZXG	-4.84	39
13	POL	Q72874	5V4Y	-5.86	39
14	IL6	P05231	4CNI	-7.11	35
15	NCOA2	Q15596	1MV9	-8.01	33
16	NOS2	P35228	3E7G	-7.02	31
17	TLR4	O00206	2Z62	-5.62	29
18	ACE2	Q9BYF1	1R4L	-6.03	29
19	TNF	P01375	2AZ5	-7.22	28
20	Prefusion spike glycoprotein	-	6VSB	-5.87	25
21	HR2 domain of S2 subunit	D5HJT4	6LXT	-6.09	20
22	HR2 domain of S2 subunit	D5HJT4	6LVN	-4.11	14