Receptor
PDB id Resolution Class Description Source Keywords
5ZBZ 1.31 Å EC: 3.6.4.13 CRYSTAL STRUCTURE OF THE DEAD DOMAIN OF HUMAN EIF4A WITH SAN HOMO SAPIENS EUKARYOTIC TRANSLATION INITIATION FACTOR 4A SANGUINARINE ITRANSLATION HYDROLASE
Ref.: TARGETING THE N TERMINUS OF EIF4AI FOR INHIBITION O CATALYTIC RECYCLING. CELL CHEM BIOL V. 26 1417 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAU A:301;
 Valid;
 none;
 Kd = 12.5 uM
332.329 C20 H14 N O4 C[n+]...
MLI A:302;
 Invalid;
 none;
 submit data
102.046 C3 H2 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ZBZ 1.31 Å EC: 3.6.4.13 CRYSTAL STRUCTURE OF THE DEAD DOMAIN OF HUMAN EIF4A WITH SAN HOMO SAPIENS EUKARYOTIC TRANSLATION INITIATION FACTOR 4A SANGUINARINE ITRANSLATION HYDROLASE
Ref.: TARGETING THE N TERMINUS OF EIF4AI FOR INHIBITION O CATALYTIC RECYCLING. CELL CHEM BIOL V. 26 1417 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 5ZBZ Kd = 12.5 uM SAU C20 H14 N O4 C[n+]1cc2c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 5ZBZ Kd = 12.5 uM SAU C20 H14 N O4 C[n+]1cc2c....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 5GVR - LMR C4 H6 O5 C([C@@H](C....
2 3B7G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 3MWK - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
4 3NBF - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
5 5ZBZ Kd = 12.5 uM SAU C20 H14 N O4 C[n+]1cc2c....
6 3DKP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 3IUY - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SAU; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SAU 1 1
2 CTI 0.583333 0.911111
Similar Ligands (3D)
Ligand no: 1; Ligand: SAU; Similar ligands found: 87
No: Ligand Similarity coefficient
1 BER 0.9529
2 MBT 0.9188
3 SLX 0.9172
4 ARH 0.9068
5 DEH 0.9012
6 AO 0.8980
7 SDN 0.8948
8 CUE 0.8934
9 STR 0.8928
10 01I 0.8924
11 GEN 0.8915
12 5Z5 0.8899
13 124 0.8888
14 END 0.8879
15 PDN 0.8867
16 609 0.8840
17 TFX 0.8831
18 PLO 0.8830
19 79X 0.8825
20 TNC 0.8824
21 802 0.8821
22 517 0.8820
23 CR4 0.8811
24 120 0.8794
25 BMZ 0.8783
26 ECS 0.8780
27 WG8 0.8777
28 WZC 0.8776
29 EQU 0.8767
30 E8Z 0.8761
31 907 0.8760
32 3Q1 0.8758
33 LU2 0.8754
34 EST 0.8754
35 J2W 0.8753
36 797 0.8747
37 801 0.8742
38 RHN 0.8742
39 IXM 0.8741
40 AX1 0.8741
41 1CA 0.8738
42 334 0.8734
43 EXN 0.8731
44 LEK 0.8731
45 6VW 0.8722
46 F08 0.8719
47 8SK 0.8707
48 7FC 0.8706
49 1V8 0.8705
50 ESM 0.8704
51 DX8 0.8702
52 68C 0.8702
53 F33 0.8680
54 122 0.8672
55 E98 0.8668
56 EXQ 0.8667
57 3G6 0.8667
58 R18 0.8664
59 135 0.8660
60 1UR 0.8656
61 NKH 0.8653
62 BGC XGP 0.8645
63 ESR 0.8641
64 FJR 0.8640
65 338 0.8640
66 17M 0.8639
67 E92 0.8634
68 123 0.8629
69 1V0 0.8629
70 EYB 0.8617
71 4B8 0.8617
72 BRY 0.8607
73 C0R 0.8606
74 AOM 0.8597
75 ESJ 0.8592
76 J3Z 0.8585
77 AZN 0.8580
78 3Q2 0.8578
79 PQQ 0.8577
80 1TJ 0.8577
81 1UT 0.8570
82 DHT 0.8568
83 29F 0.8549
84 MYU 0.8540
85 789 0.8533
86 5SD 0.8532
87 TES 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ZBZ; Ligand: SAU; 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: 5zbz.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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