Receptor
PDB id Resolution Class Description Source Keywords
5JQ1 1.83 Å NON-ENZYME: SIGNAL_HORMONE EFFICIENT TARGETING OF THE ASIALOGLYCOPROTEIN RECEPTOR BY PO DISPLAY OF A COMPACT GALACTOSAMINE MIMIC HOMO SAPIENS ASIALOGLYCOPROTEIN RECEPTOR CARBOHYDRATES LIVER TARGETINGBINDING PROTEIN
Ref.: EFFICIENT LIVER TARGETING BY POLYVALENT DISPLAY OF LIGAND FOR THE ASIALOGLYCOPROTEIN RECEPTOR. J. AM. CHEM. SOC. V. 139 3528 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1003;
B:1001;
A:1001;
A:1002;
B:1002;
B:1004;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
ZPF B:1003;
A:1004;
 Valid;
Valid;
 none;
none;
 submit data
233.218 C9 H15 N O6 CC(=O...
CL A:1005;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JQ1 1.83 Å NON-ENZYME: SIGNAL_HORMONE EFFICIENT TARGETING OF THE ASIALOGLYCOPROTEIN RECEPTOR BY PO DISPLAY OF A COMPACT GALACTOSAMINE MIMIC HOMO SAPIENS ASIALOGLYCOPROTEIN RECEPTOR CARBOHYDRATES LIVER TARGETINGBINDING PROTEIN
Ref.: EFFICIENT LIVER TARGETING BY POLYVALENT DISPLAY OF LIGAND FOR THE ASIALOGLYCOPROTEIN RECEPTOR. J. AM. CHEM. SOC. V. 139 3528 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 5JPV - GLC GAL n/a n/a
2 5JQ1 - ZPF C9 H15 N O6 CC(=O)N[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 5JPV - GLC GAL n/a n/a
2 5JQ1 - ZPF C9 H15 N O6 CC(=O)N[C@....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4N33 - GAL NAG n/a n/a
2 3P5I - NAG G6S n/a n/a
3 3P5H - BGC BGC n/a n/a
4 4N37 - MMA C7 H14 O6 CO[C@@H]1[....
5 4N34 - 2F8 C9 H17 N O6 CC(=O)N[C@....
6 3P5E - MAN C6 H12 O6 C([C@@H]1[....
7 6PWR - MAN NAG n/a n/a
8 6PWS Ki = 1.6 mM MMA C7 H14 O6 CO[C@@H]1[....
9 5G6U ic50 = 0.22 uM SGN C6 H13 N O11 S2 C([C@@H]1[....
10 5VYB - BMA MAN MAN MAN MAN MAN MAN n/a n/a
11 1SL5 - GAL NAG FUC GAL n/a n/a
12 2IT5 - MAN MAN MAN n/a n/a
13 6LFJ Kd = 140 uM MAN IPD MAN n/a n/a
14 1K9J - MAN MAN MAN NAG NAG n/a n/a
15 1SL4 - MAN MAN MAN MAN n/a n/a
16 2IT6 - MAN MAN n/a n/a
17 1K9I - MAN MAN MAN NAG NAG n/a n/a
18 6GHV Kd = 52 uM EZ8 C35 H48 Cl N6 O10 c1cc(ccc1C....
19 3VYK Kd = 0.000023 M MMA MAN NAG MAN NAG NAG n/a n/a
20 4KZV - GLC GLC n/a n/a
21 4ZRV - GLC U8V n/a n/a
22 5KTH - GLC GLC 6X7 6X7 n/a n/a
23 5KTI - GLC GLC 6X6 n/a n/a
24 2OX9 - NAG FUC GAL n/a n/a
25 4ZES Ki = 9.4 mM MMA C7 H14 O6 CO[C@@H]1[....
26 3WH2 - FLC C6 H5 O7 C(C(=O)[O-....
27 5JPV - GLC GAL n/a n/a
28 5JQ1 - ZPF C9 H15 N O6 CC(=O)N[C@....
29 1SL6 - NDG FUC GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ZPF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ZPF 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: ZPF; Similar ligands found: 69
No: Ligand Similarity coefficient
1 A2G 0.9688
2 NGA 0.9456
3 NDG 0.9421
4 NAG 0.9388
5 DJN 0.9382
6 IFG 0.9380
7 BBK 0.9351
8 GDL 0.9247
9 3XR 0.9183
10 2F8 0.9164
11 NSG 0.9128
12 BM3 0.9092
13 ALX 0.9068
14 LOG 0.9058
15 2CZ 0.9050
16 NOK 0.9000
17 5FN 0.8986
18 LTM 0.8951
19 2GS 0.8930
20 BEU 0.8926
21 GNL 0.8906
22 TNX 0.8899
23 GF1 0.8876
24 SIZ 0.8826
25 MQG 0.8818
26 LIP 0.8817
27 OQC 0.8807
28 F34 0.8767
29 GC2 0.8749
30 BNX 0.8744
31 JF1 0.8738
32 IPD 0.8738
33 2KA 0.8735
34 PQZ 0.8734
35 SNG 0.8718
36 S8A 0.8716
37 K82 0.8712
38 EMZ 0.8706
39 86L 0.8704
40 MS0 0.8695
41 JWB 0.8693
42 IQ5 0.8691
43 4I8 0.8685
44 7QD 0.8677
45 HHT 0.8676
46 MAG 0.8670
47 9ZE 0.8665
48 PA5 0.8664
49 ST2 0.8658
50 ICT 0.8653
51 W81 0.8650
52 EV2 0.8644
53 363 0.8629
54 4TU 0.8628
55 K3Q 0.8609
56 8NX 0.8608
57 ISC 0.8583
58 54Z 0.8582
59 K4V 0.8576
60 NLA 0.8567
61 EV3 0.8556
62 8MP 0.8555
63 MIG 0.8549
64 ECG 0.8544
65 CFA 0.8543
66 H4B NO 0.8533
67 LP8 0.8526
68 CWJ 0.8520
69 MQB 0.8519
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JQ1; Ligand: ZPF; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 5jq1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3P7G MAN 40.6897
2 4WQQ MAN 45.3901
3 4WQQ MAN 45.3901
4 4WQQ MAN 45.3901
5 4WQQ MAN 45.3901
Pocket No.: 2; Query (leader) PDB : 5JQ1; Ligand: ZPF; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 5jq1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3P7G MAN 40.6897
2 4WQQ MAN 45.3901
3 4WQQ MAN 45.3901
4 4WQQ MAN 45.3901
5 4WQQ MAN 45.3901
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