D3Targets-2019-nCoV

D3Docking

D3Similarity

D3AI-CoV

D3Pockets

D3AI-Spike

CoViProteins

2019-nCoV

CoViLigands

D3DockingVS

Job Title:title_200622030046

Job File:Ligands.sdf

File link:download

Score:

Mol Id	CTSL	Pocket	3CLpro/Mpro-Dimer	Pocket
MOL_57	-12.38	Pocket2	-13.4917002	Pocket1
MOL_67	-11.64	Pocket2	-12.9100866	Pocket1
MOL_32	-11.28	Pocket2	-13.4476204	Pocket1
MOL_68	-10.67	Pocket2	-13.8530388	Pocket2
MOL_59	-10.67	Pocket2	-11.9166784	Pocket2
MOL_61	-10.57	Pocket2	-12.9476748	Pocket2
MOL_70	-10.5	Pocket1	-12.6419821	Pocket2
MOL_66	-10.49	Pocket2	-12.4176493	Pocket1
MOL_71	-10.49	Pocket1	-13.202569	Pocket2
MOL_62	-10.45	Pocket1	-13.7225275	Pocket2
MOL_38	-10.35	Pocket2	-13.097661	Pocket2
MOL_58	-10.28	Pocket2	-12.857522	Pocket2
MOL_26	-10.15	Pocket2	-10.6655684	Pocket1
MOL_69	-10.11	Pocket2	-12.9203711	Pocket1
MOL_24	-10.09	Pocket2	-12.0988722	Pocket2
MOL_53	-9.99	Pocket2	-12.3912239	Pocket2
MOL_35	-9.97	Pocket2	-11.6178789	Pocket2
MOL_30	-9.95	Pocket1	-12.7162304	Pocket1
MOL_60	-9.93	Pocket2	-13.5325136	Pocket1
MOL_47	-9.86	Pocket1	-11.951643	Pocket4
MOL_25	-9.66	Pocket2	-11.2586555	Pocket1
MOL_41	-9.62	Pocket2	-10.0007038	Pocket2
MOL_43	-9.41	Pocket2	-11.0514545	Pocket2
MOL_31	-9.4	Pocket2	-10.5886221	Pocket1
MOL_34	-9.17	Pocket2	-10.543128	Pocket2
MOL_29	-9.1	Pocket2	-9.1492939	Pocket1
MOL_23	-9.04	Pocket2	-8.79823875	Pocket4
MOL_36	-8.99	Pocket2	-9.79582787	Pocket2
MOL_33	-8.98	Pocket2	-11.1491146	Pocket1
MOL_20	-8.9	Pocket2	-8.91806793	Pocket2
MOL_13	-8.71	Pocket2	-8.61936378	Pocket1
MOL_52	-8.56	Pocket2	-8.85312939	Pocket1
MOL_7	-8.47	Pocket2	-8.88306141	Pocket4
MOL_44	-8.46	Pocket2	-8.53364372	Pocket1
MOL_6	-8.44	Pocket2	-8.47294807	Pocket1
MOL_19	-8.4	Pocket2	-8.83290482	Pocket1
MOL_46	-8.4	Pocket2	-8.68644714	Pocket1
MOL_15	-8.37	Pocket2	-8.36689949	Pocket1
MOL_18	-8.37	Pocket2	-8.82164383	Pocket2
MOL_65	-8.34	Pocket2	-9.79655266	Pocket2
MOL_21	-8.28	Pocket2	-8.43618584	Pocket1
MOL_5	-8.23	Pocket2	-8.51611328	Pocket1
MOL_45	-8.13	Pocket2	-8.13280392	Pocket1
MOL_27	-8.09	Pocket2	-8.37590694	Pocket2
MOL_51	-8.08	Pocket2	-8.1803093	Pocket1
MOL_10	-8.05	Pocket2	-8.33162403	Pocket2
MOL_12	-8.04	Pocket2	-8.87726879	Pocket2
MOL_4	-8.02	Pocket2	-7.52915096	Pocket2
MOL_22	-8	Pocket1	-9.02867985	Pocket2
MOL_14	-7.97	Pocket2	-8.35849857	Pocket2
MOL_8	-7.96	Pocket2	-8.29169846	Pocket2
MOL_55	-7.95	Pocket2	-8.70221901	Pocket1
MOL_48	-7.89	Pocket2	-8.62267208	Pocket1
MOL_49	-7.87	Pocket2	-7.54962921	Pocket2
MOL_28	-7.74	Pocket1	-9.57621098	Pocket1
MOL_39	-7.67	Pocket2	-9.44436264	Pocket2
MOL_37	-7.59	Pocket1	-8.40801334	Pocket1
MOL_63	-7.5	Pocket2	-8.3748951	Pocket2
MOL_56	-7.14	Pocket2	-8.36464596	Pocket1
MOL_17	-7.03	Pocket2	-6.93911934	Pocket2
MOL_40	-6.94	Pocket2	-8.81255054	Pocket1
MOL_64	-6.7	Pocket1	-7.04904556	Pocket1
MOL_9	-6.3	Pocket2	-7.50768232	Pocket2
MOL_2	-5.91	Pocket2	-6.37870264	Pocket1
MOL_11	-5.61	Pocket2	-5.52073193	Pocket2
MOL_54	-5.47	Pocket1	-5.76162481	Pocket4
MOL_42	-5.34	Pocket3	-6.12110138	Pocket1
MOL_3	-5.31	Pocket1	-5.68123722	Pocket3
MOL_50	-5.23	Pocket2	-5.00675154	Pocket1
MOL_1	-5.21	Pocket1	-5.54288244	Pocket1
MOL_16	-4.67	Pocket1	-5.2221899	Pocket1

This site has been visited 4196757 times since Feb 2020.

Menu

D3Docking

D3Similarity

D3AI-CoV

D3Pockets

D3AI-Spike

CoViProteins

CoViLigands

D3DockingVS