Receptor
PDB id Resolution Class Description Source Keywords
6NPM 1.6 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF EPSTEIN-BARR VIRUS NUCLEAR ANTIGEN-1, E BOUND TO FRAGMENTS EPSTEIN-BARR VIRUS (STRAIN B95-8) EBNA1 DNA BINDING PROTEIN EPSTEIN-BARR VIRUS VIRAL PROTEIPROTEIN-INHIBITOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF SMALL-MOLECULE INHIBITORS DNA BINDING BLOCKS EPSTEIN-BARR VIRUS LATENT INFECT TUMOR GROWTH. SCI TRANSL MED V. 11 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KVD B:701;
 Valid;
 none;
 Ki = 110 uM
223.227 C14 H9 N O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6NPM 1.6 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF EPSTEIN-BARR VIRUS NUCLEAR ANTIGEN-1, E BOUND TO FRAGMENTS EPSTEIN-BARR VIRUS (STRAIN B95-8) EBNA1 DNA BINDING PROTEIN EPSTEIN-BARR VIRUS VIRAL PROTEIPROTEIN-INHIBITOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF SMALL-MOLECULE INHIBITORS DNA BINDING BLOCKS EPSTEIN-BARR VIRUS LATENT INFECT TUMOR GROWTH. SCI TRANSL MED V. 11 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 6NPI - 60Q C11 H9 N O2 c1ccc(c(c1....
2 6VH6 Kd ~ 4 mM QX4 C10 H8 O3 Cc1ccc2c(c....
3 6NPM Ki = 110 uM KVD C14 H9 N O2 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 6NPI - 60Q C11 H9 N O2 c1ccc(c(c1....
2 6VH6 Kd ~ 4 mM QX4 C10 H8 O3 Cc1ccc2c(c....
3 6NPM Ki = 110 uM KVD C14 H9 N O2 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 6NPI - 60Q C11 H9 N O2 c1ccc(c(c1....
2 6VH6 Kd ~ 4 mM QX4 C10 H8 O3 Cc1ccc2c(c....
3 6NPM Ki = 110 uM KVD C14 H9 N O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KVD; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 KVD 1 1
2 0LO 0.444444 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: KVD; Similar ligands found: 87
No: Ligand Similarity coefficient
1 4RG 0.9524
2 D8B 0.9476
3 JBB 0.9270
4 NZ4 0.9267
5 TVZ 0.9211
6 UV4 0.9112
7 LZ7 0.9080
8 EEY 0.9069
9 4YE 0.9029
10 3TI 0.9001
11 S16 0.8995
12 4YF 0.8994
13 1UA 0.8979
14 STL 0.8967
15 IPJ 0.8951
16 S1C 0.8927
17 LJ2 0.8925
18 CMG 0.8920
19 U4J 0.8914
20 A45 0.8907
21 RE2 0.8906
22 EMU 0.8904
23 N5B 0.8902
24 HCC 0.8893
25 1V0 0.8890
26 IW4 0.8886
27 IEE 0.8882
28 T34 0.8880
29 LJ1 0.8879
30 DN8 0.8875
31 TVC 0.8868
32 PIT 0.8861
33 4TX 0.8855
34 GQZ 0.8855
35 8KW 0.8850
36 H0V 0.8850
37 QS4 0.8847
38 BVB 0.8829
39 22M 0.8828
40 2M7 0.8818
41 HPX 0.8806
42 Q92 0.8805
43 3RL 0.8802
44 IW5 0.8798
45 D8I 0.8798
46 LU2 0.8795
47 WA2 0.8790
48 7SB 0.8783
49 QDR 0.8772
50 83D 0.8763
51 ZEA 0.8761
52 T61 0.8746
53 L43 0.8732
54 IW3 0.8724
55 GOW 0.8719
56 A64 0.8717
57 R3S 0.8714
58 VGV 0.8710
59 DFV 0.8706
60 NAR 0.8702
61 OSY 0.8697
62 FHV 0.8677
63 AGI 0.8677
64 2OX 0.8675
65 F36 0.8671
66 16L 0.8670
67 LD9 0.8670
68 F13 0.8667
69 97K 0.8666
70 SJR 0.8666
71 NXY 0.8645
72 47V 0.8643
73 FY8 0.8635
74 KTV 0.8632
75 5YA 0.8628
76 1R5 0.8611
77 9M9 0.8600
78 RNP 0.8596
79 72G 0.8594
80 1HP 0.8571
81 B4L 0.8570
82 HAN 0.8567
83 MI2 0.8567
84 3JC 0.8553
85 VXP 0.8542
86 ZTW 0.8514
87 OUA 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6NPM; Ligand: KVD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6npm.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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