Menu
Home
Latest Update
Sign In
Register
Contact Us
D3Docking
Introduction
TargetPrediction
Results
VirtualScreening
Results
Help
D3Similarity
Introduction
TargetPrediction
Results
VirtualScreening
Results
D3AI-CoV
Introduction
TargetPrediction
Results
VirtualScreening
Results
D3Pockets
Introduction
Upload
Results
D3AI-Spike
Introduction
D3AI-Spike
CoViProteins
2019-nCoV
CoViLigands
Introduction
2019-nCoV
D3Similarity
Job Title:
title_220710184626
Job File:
Conformer3D_CID_73581.sdf
File Download:
title_220710184626-Conformer3D_CID_73581.mol2
Top 20:
Jmol._Canvas2D (Jmol) "jmolApplet"
[x]
Rank
Mol ID
Similarity
3D Similarity
2D Similarity
Target Name
Target ID
Activity
1
ICV439
29.33
57.5%
51%
human: "Na, K-exchanging ATPase pump"
NA
MERS(IC=0.08µM) Vero
2
ICV287
25.86
48.03%
53.85%
virus: Papain-like protease
P0DTD1
SARS PL(IC50=20.1µM)
3
ICV289
24.35
52.34%
46.53%
virus: Papain-like protease
P0DTD1
SARS PL(IC50=8µM)
4
ICV290
23.45
50.39%
46.53%
virus: Papain-like protease
P0DTD1
SARS PL(IC50=9.1µM)
5
ICV391
22.21
70.94%
31.3%
virus: Helicase
P0DTD1
SARS Helicase(IC50=2.7µM)
6
ICV410
21.7
43.4%
50%
human: "Ca, Na,-exchanging ATPase pump"
NA
MERS(IC=0.16µM) Vero
7
ICV428
21.3
59.86%
35.58%
human: Eukaryotic initiation factor 4A-I
P60842
MERS(EC50=3nM) MRC-5 cell; HCoV-229E(EC50=1.3nM) MRC-5 cell
8
ICV411
18.5
37.01%
50%
human: "Ca, Na,-exchanging ATPase pump"
NA
MERS(IC=0.17µM) Vero
9
ICV389
18.1
76.43%
23.68%
virus: Helicase
P0DTD1
SARS Helicase(IC50=3µM)
10
ICV390
16.79
77.91%
21.55%
virus: Helicase
P0DTD1
SARS Helicase(IC50=7µM)
11
ICV73
16.28
65.83%
24.73%
virus: 3C-like protease
P0DTD1
Replicon (BHK) (IC50=2µM); SARS(IC50=8.9µM) Vero
12
ICV153
15.78
63.9%
24.69%
virus: 3C-like protease
P0DTD1
SARS 3CL(IC50=10µM)
13
ICV144
14.74
62.63%
23.53%
virus: 3C-like protease
P0DTD1
SARS 3CL(IC50=42.79µM)
14
ICV72
14.6
65.36%
22.34%
virus: 3C-like protease
P0DTD1
SARS 3CL(IC50=2.5µM)
15
ICV154
14.38
63.87%
22.52%
virus: 3C-like protease
P0DTD1
SARS 3CL(IC50=25µM)
16
ICV442
14.16
58.02%
24.41%
human: 50S ribosomal protein L2
P20276
MERS(EC50=0.0718µM) Vero E6
17
ICV145
14.12
60.01%
23.53%
virus: 3C-like protease
P0DTD1
SARS 3CL(IC50=24.14µM)
18
ICV401
14.02
68.77%
20.38%
virus: RNA-directed RNA polymerase L
P26676
MERS(EC50=9.99µM) Vero cell; SARS-CoV-2(EC50=109.5) Vero E6
19
ICV286
13.62
52.9%
25.74%
virus: Papain-like protease
P0DTD1
SARS PL(IC50=7.8µM)
20
ICV150
13.54
59.7%
22.69%
virus: 3C-like protease
P0DTD1
SARS 3CL(IC50=5.5µM)
This site has been visited 4210520 times since Feb 2020.