D3Targets-2019-nCoV

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2019-nCoV

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D3DockingVS

Job Title:title_210926132239

Job File:ligands.sdf

File link:download

Score:

Mol Id	RdRp-+RNA & +Mg	Pocket	3CLpro/Mpro-Dimer	Pocket
MOL_23	-13.09	Pocket1	-11.1102571	Pocket1
MOL_17	-13.03	Pocket1	-12.0525141	Pocket1
MOL_12	-13	Pocket6	-11.4180822	Pocket2
MOL_20	-12.99	Pocket1	-11.4057884	Pocket1
MOL_16	-12.73	Pocket1	-11.1280165	Pocket2
MOL_22	-12.57	Pocket1	-10.8624687	Pocket1
MOL_13	-12.51	Pocket1	-11.613492	Pocket1
MOL_15	-12.5	Pocket1	-11.6461334	Pocket1
MOL_21	-12.43	Pocket1	-11.1488218	Pocket1
MOL_14	-12.4	Pocket1	-12.4057751	Pocket2
MOL_18	-12.23	Pocket1	-10.9169655	Pocket1
MOL_3	-11.57	Pocket1	-10.708786	Pocket2
MOL_11	-11.55	Pocket1	-9.63216019	Pocket2
MOL_8	-11.51	Pocket1	-11.1637678	Pocket1
MOL_7	-11.5	Pocket1	-10.587676	Pocket2
MOL_1	-11.41	Pocket1	-11.3266878	Pocket1
MOL_5	-11.35	Pocket1	-10.8143005	Pocket2
MOL_19	-11.32	Pocket6	-10.9247723	Pocket1
MOL_9	-11.31	Pocket1	-10.6945925	Pocket2
MOL_50	-11.21	Pocket1	-9.48875999	Pocket2
MOL_10	-11.21	Pocket1	-11.1536436	Pocket1
MOL_2	-10.87	Pocket1	-10.3876457	Pocket1
MOL_6	-10.72	Pocket1	-10.4455357	Pocket2
MOL_4	-10.43	Pocket1	-10.2138233	Pocket1
MOL_51	-10.42	Pocket1	-9.52522373	Pocket2
MOL_26	-9.96	Pocket1	-8.85791969	Pocket2
MOL_25	-9.79	Pocket6	-9.01758194	Pocket1
MOL_28	-9.65	Pocket1	-8.75723076	Pocket1
MOL_27	-9.56	Pocket1	-8.40854454	Pocket2
MOL_34	-9.33	Pocket6	-8.53616524	Pocket1
MOL_39	-9.26	Pocket1	-8.75366592	Pocket2
MOL_33	-9.25	Pocket6	-8.38988781	Pocket1
MOL_24	-9.22	Pocket1	-8.53338432	Pocket1
MOL_31	-9.18	Pocket6	-8.57903957	Pocket1
MOL_35	-9.14	Pocket1	-8.23437595	Pocket2
MOL_30	-9.1	Pocket6	-8.40526199	Pocket1
MOL_38	-8.91	Pocket6	-8.24179745	Pocket2
MOL_45	-8.91	Pocket1	-8.3001194	Pocket2
MOL_46	-8.91	Pocket1	-8.23933887	Pocket1
MOL_48	-8.89	Pocket1	-8.44146538	Pocket1
MOL_42	-8.77	Pocket6	-8.16008854	Pocket2
MOL_37	-8.7	Pocket1	-8.0742588	Pocket1
MOL_44	-8.7	Pocket1	-8.0742588	Pocket1
MOL_40	-8.54	Pocket1	-8.21641445	Pocket2
MOL_29	-8.51	Pocket1	-8.00020695	Pocket2
MOL_32	-8.37	Pocket6	-7.99765825	Pocket1
MOL_43	-8.19	Pocket6	-7.6590209	Pocket1
MOL_36	-8.14	Pocket6	-8.05358219	Pocket1
MOL_41	-8.07	Pocket6	-7.91224003	Pocket1
MOL_49	-8.05	Pocket6	-7.61290693	Pocket1
MOL_47	-7.92	Pocket6	-7.95503473	Pocket1

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