D3Targets-2019-nCoV

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2019-nCoV

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Job Title:Drug_lig_Mro

Job File:Drug_Lig_Mpro.sdf

File link:download

Score:

Mol Id	3CLpro/Mpro-Monomer	Pocket	3CLpro/Mpro-Dimer	Pocket
MOL_63	-12.32	Pocket1	-12.9476748	Pocket2
MOL_61	-11.68	Pocket1	-11.9166784	Pocket2
MOL_34	-11.52	Pocket1	-13.4476204	Pocket1
MOL_64	-11.28	Pocket1	-13.7225275	Pocket2
MOL_32	-11.07	Pocket1	-12.7162304	Pocket1
MOL_69	-11.03	Pocket1	-12.9100866	Pocket1
MOL_55	-10.96	Pocket5	-12.3912239	Pocket2
MOL_60	-10.95	Pocket5	-12.857522	Pocket2
MOL_49	-10.88	Pocket1	-11.951643	Pocket4
MOL_73	-10.59	Pocket5	-13.202569	Pocket2
MOL_72	-10.49	Pocket2	-12.6419821	Pocket2
MOL_37	-10.46	Pocket2	-11.6178789	Pocket2
MOL_40	-10.41	Pocket1	-13.097661	Pocket2
MOL_71	-10.38	Pocket1	-12.9203711	Pocket1
MOL_59	-10.27	Pocket1	-13.4917002	Pocket1
MOL_36	-10.21	Pocket1	-10.543128	Pocket2
MOL_45	-10.19	Pocket2	-11.0514545	Pocket2
MOL_62	-10.15	Pocket5	-13.5325136	Pocket1
MOL_70	-10.07	Pocket5	-13.8530388	Pocket2
MOL_43	-9.91	Pocket1	-10.0007038	Pocket2
MOL_25	-9.73	Pocket1	-11.2586555	Pocket1
MOL_26	-9.7	Pocket1	-10.6655684	Pocket1
MOL_68	-9.69	Pocket1	-12.4176493	Pocket1
MOL_33	-9.57	Pocket2	-10.5886221	Pocket1
MOL_38	-9.24	Pocket2	-9.79582787	Pocket2
MOL_24	-9.24	Pocket1	-12.0988722	Pocket2
MOL_23	-9.17	Pocket2	-8.79823875	Pocket4
MOL_35	-9.12	Pocket1	-11.1491146	Pocket1
MOL_6	-9.02	Pocket2	-8.47294807	Pocket1
MOL_54	-8.9	Pocket2	-8.85312939	Pocket1
MOL_57	-8.8	Pocket2	-8.70221901	Pocket1
MOL_20	-8.74	Pocket2	-8.91806793	Pocket2
MOL_19	-8.67	Pocket2	-8.83290482	Pocket1
MOL_46	-8.67	Pocket2	-8.53364372	Pocket1
MOL_29	-8.59	Pocket5	-9.1492939	Pocket1
MOL_18	-8.55	Pocket1	-8.82164383	Pocket2
MOL_7	-8.51	Pocket2	-8.88306141	Pocket4
MOL_22	-8.49	Pocket2	-9.02867985	Pocket2
MOL_12	-8.34	Pocket2	-8.87726879	Pocket2
MOL_41	-8.32	Pocket5	-9.44436264	Pocket2
MOL_67	-8.32	Pocket1	-9.79655266	Pocket2
MOL_48	-8.23	Pocket5	-8.68644714	Pocket1
MOL_13	-8.17	Pocket5	-8.61936378	Pocket1
MOL_5	-8.16	Pocket1	-8.51611328	Pocket1
MOL_53	-8.15	Pocket2	-8.1803093	Pocket1
MOL_14	-8.13	Pocket2	-8.35849857	Pocket2
MOL_28	-8.12	Pocket1	-9.57621098	Pocket1
MOL_15	-8.12	Pocket2	-8.36689949	Pocket1
MOL_58	-8.06	Pocket2	-8.36464596	Pocket1
MOL_51	-8.04	Pocket2	-7.54962921	Pocket2
MOL_66	-8	Pocket2	-7.04904556	Pocket1
MOL_21	-7.94	Pocket2	-8.43618584	Pocket1
MOL_8	-7.91	Pocket2	-8.29169846	Pocket2
MOL_27	-7.9	Pocket5	-8.37590694	Pocket2
MOL_10	-7.87	Pocket5	-8.33162403	Pocket2
MOL_42	-7.84	Pocket1	-8.81255054	Pocket1
MOL_47	-7.81	Pocket5	-8.13280392	Pocket1
MOL_17	-7.66	Pocket2	-6.93911934	Pocket2
MOL_31	-7.64	Pocket5	-8.99628544	Pocket2
MOL_65	-7.56	Pocket5	-8.3748951	Pocket2
MOL_50	-7.53	Pocket1	-8.62267208	Pocket1
MOL_39	-7.28	Pocket2	-8.40801334	Pocket1
MOL_30	-7.24	Pocket3	-9.23999596	Pocket1
MOL_4	-7.17	Pocket2	-7.52915096	Pocket2
MOL_2	-7.09	Pocket2	-6.37870264	Pocket1
MOL_9	-7.08	Pocket2	-7.50768232	Pocket2
MOL_11	-6.42	Pocket2	-5.52073193	Pocket2
MOL_44	-6.22	Pocket2	-6.12110138	Pocket1
MOL_3	-6.09	Pocket2	-5.68123722	Pocket3
MOL_56	-5.81	Pocket2	-5.76162481	Pocket4
MOL_52	-5.76	Pocket2	-5.00675154	Pocket1
MOL_1	-5.1	Pocket5	-5.54288244	Pocket1
MOL_16	-5.01	Pocket5	-5.2221899	Pocket1

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