D3Targets-2019-nCoV

D3Docking

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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	3CLpro/Mpro-Dimer	Pocket	RdRp-+RNA & +Mg	Pocket
MOL_14	-12.41	Pocket2	-12.3960915	Pocket1
MOL_17	-12.05	Pocket1	-13.0279531	Pocket1
MOL_15	-11.65	Pocket1	-12.4979372	Pocket1
MOL_13	-11.61	Pocket1	-12.5055161	Pocket1
MOL_12	-11.42	Pocket2	-12.999589	Pocket6
MOL_20	-11.41	Pocket1	-12.9880476	Pocket1
MOL_1	-11.33	Pocket1	-11.413887	Pocket1
MOL_8	-11.16	Pocket1	-11.5067587	Pocket1
MOL_10	-11.15	Pocket1	-11.2061176	Pocket1
MOL_21	-11.15	Pocket1	-12.4268818	Pocket1
MOL_16	-11.13	Pocket2	-12.7283154	Pocket1
MOL_23	-11.11	Pocket1	-13.0886526	Pocket1
MOL_19	-10.92	Pocket1	-11.3206377	Pocket6
MOL_18	-10.92	Pocket1	-12.2254391	Pocket1
MOL_22	-10.86	Pocket1	-12.5726109	Pocket1
MOL_5	-10.81	Pocket2	-11.3485804	Pocket1
MOL_3	-10.71	Pocket2	-11.5657482	Pocket1
MOL_9	-10.69	Pocket2	-11.3107071	Pocket1
MOL_7	-10.59	Pocket2	-11.5009146	Pocket1
MOL_6	-10.45	Pocket2	-10.7198629	Pocket1
MOL_2	-10.39	Pocket1	-10.8694324	Pocket1
MOL_4	-10.21	Pocket1	-10.4265728	Pocket1
MOL_11	-9.63	Pocket2	-11.5469017	Pocket1
MOL_51	-9.53	Pocket2	-10.4220676	Pocket1
MOL_50	-9.49	Pocket2	-11.2082872	Pocket1
MOL_25	-9.02	Pocket1	-9.79229069	Pocket6
MOL_26	-8.86	Pocket2	-9.9621067	Pocket1
MOL_28	-8.76	Pocket1	-9.64748192	Pocket1
MOL_39	-8.75	Pocket2	-9.25885582	Pocket1
MOL_31	-8.58	Pocket1	-9.17694473	Pocket6
MOL_34	-8.54	Pocket1	-9.33257866	Pocket6
MOL_24	-8.53	Pocket1	-9.21650696	Pocket1
MOL_48	-8.44	Pocket1	-8.8864069	Pocket1
MOL_27	-8.41	Pocket2	-9.55991364	Pocket1
MOL_30	-8.41	Pocket1	-9.0963707	Pocket6
MOL_33	-8.39	Pocket1	-9.24618053	Pocket6
MOL_45	-8.3	Pocket2	-8.91171932	Pocket1
MOL_38	-8.24	Pocket2	-8.91319752	Pocket6
MOL_46	-8.24	Pocket1	-8.90615082	Pocket1
MOL_35	-8.23	Pocket2	-9.14471722	Pocket1
MOL_40	-8.22	Pocket2	-8.54245377	Pocket1
MOL_42	-8.16	Pocket2	-8.77338696	Pocket6
MOL_37	-8.07	Pocket1	-8.69943428	Pocket1
MOL_44	-8.07	Pocket1	-8.69943428	Pocket1
MOL_36	-8.05	Pocket1	-8.14024067	Pocket6
MOL_29	-8	Pocket2	-8.51065826	Pocket1
MOL_32	-8	Pocket1	-8.37094212	Pocket6
MOL_47	-7.96	Pocket1	-7.91693449	Pocket6
MOL_41	-7.91	Pocket1	-8.06769943	Pocket6
MOL_43	-7.66	Pocket1	-8.18509388	Pocket6
MOL_49	-7.61	Pocket1	-8.0542469	Pocket6

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