- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 7 families. | |||||
1 | 2X62 | - | CH | C9 H15 N3 O8 P | C1=C(NC(=O.... |
2 | 1RO8 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
3 | 2X63 | - | C | C9 H14 N3 O8 P | C1=CN(C(=O.... |
4 | 2X61 | - | CH | C9 H15 N3 O8 P | C1=C(NC(=O.... |
5 | 2WQQ | - | CSF | C20 H30 F N4 O16 P | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 2P2V | - | CSF | C20 H30 F N4 O16 P | CC(=O)N[C@.... |
2 | 2X62 | - | CH | C9 H15 N3 O8 P | C1=C(NC(=O.... |
3 | 1RO8 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
4 | 2X63 | - | C | C9 H14 N3 O8 P | C1=CN(C(=O.... |
5 | 2X61 | - | CH | C9 H15 N3 O8 P | C1=C(NC(=O.... |
6 | 2WQQ | - | CSF | C20 H30 F N4 O16 P | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NGA GAL SIA | 1 | 1 |
2 | A2G GAL SIA | 0.816327 | 0.980769 |
3 | NAG GAL SIA SIA | 0.740741 | 0.962264 |
4 | NAG GAL SIA | 0.721154 | 0.980769 |
5 | GAL NGA GAL SIA | 0.684685 | 0.980769 |
6 | GAL SIA NGA GAL SIA | 0.684685 | 0.980769 |
7 | NAG FUC GAL SIA | 0.675439 | 0.980769 |
8 | NAG GAL NGC | 0.660714 | 0.943396 |
9 | NGS GAL SIA | 0.657895 | 0.772727 |
10 | NAG 2FG SIA | 0.63964 | 0.910714 |
11 | BGC GAL SIA SIA | 0.635593 | 0.962264 |
12 | NDG GAL SIA SIA | 0.634783 | 0.927273 |
13 | BGC GAL SIA NGA GAL SIA | 0.633333 | 0.980769 |
14 | BGC GAL GLA NGA GAL SIA | 0.628099 | 0.980769 |
15 | GAL SIA NGA GAL SIA SIA | 0.626016 | 0.962264 |
16 | GAL NGA GAL SIA SIA | 0.620968 | 0.962264 |
17 | NGS FUC GLA SIA | 0.620968 | 0.772727 |
18 | MAG FUC GAL SIA | 0.618644 | 0.980769 |
19 | GLC GAL NGC | 0.60177 | 0.90566 |
20 | GAL NAG FUC GAL SIA | 0.601626 | 0.980769 |
21 | NGA POL GAL NGC AZI | 0.601626 | 0.769231 |
22 | SIA GAL NGA GAL | 0.598291 | 0.980769 |
23 | 2FG SIA | 0.596154 | 0.875 |
24 | GAL 5N6 | 0.588785 | 0.943396 |
25 | Z3Q GAL 5N6 | 0.585366 | 0.822581 |
26 | MBG NGC | 0.584906 | 0.924528 |
27 | GAL SIA NGA GAL | 0.584746 | 0.962264 |
28 | GAL SIA SIA | 0.580357 | 0.962264 |
29 | BGC GAL SIA NGA GAL | 0.576 | 0.980769 |
30 | NAG GAL PKM | 0.567797 | 0.962264 |
31 | BGC 16C GAL SIA | 0.553957 | 0.822581 |
32 | GAL SIA NGA | 0.551724 | 0.980769 |
33 | BGC 18C GAL SIA | 0.546099 | 0.822581 |
34 | BGC GAL SIA NAG | 0.536 | 0.980769 |
35 | BGC CEQ GAL SLB NGA GAL SIA SIA | 0.527778 | 0.822581 |
36 | GAL NAG GAL SIA | 0.508065 | 0.962264 |
37 | BGC GAL SIA NGA GAL FUC | 0.507246 | 0.980769 |
38 | BGC GAL SIA NGA SIA | 0.492754 | 0.962264 |
39 | NAG GAL NAG GAL SIA | 0.488722 | 0.962264 |
40 | BGC GAL SIA | 0.487603 | 0.924528 |
41 | SIA CMO | 0.479592 | 0.886792 |
42 | BGC GAL NAG GAL SIA | 0.474074 | 0.962264 |
43 | BGC 18C GAL SIA NGA GAL | 0.46875 | 0.822581 |
44 | NAG GAL 5N6 | 0.457364 | 0.944444 |
45 | GAL SIA | 0.454545 | 0.90566 |
46 | SIA SIA | 0.446429 | 0.980769 |
47 | SLB SIA SIA SIA | 0.442478 | 0.980769 |
48 | SLB SIA SIA | 0.442478 | 0.980769 |
49 | SLB SIA SIA SIA SIA | 0.442478 | 0.980769 |
50 | SIA SIA SIA SIA SIA SIA SIA | 0.442478 | 0.980769 |
51 | CEQ BGC NGA GAL SIA SIA | 0.440789 | 0.784615 |
52 | MNA | 0.425743 | 0.867925 |
53 | SIA SIA SIA | 0.423729 | 0.980769 |
54 | NAG SIA | 0.40678 | 0.892857 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | U5P | 0.9980 |
2 | C | 0.9913 |
3 | PSU | 0.9847 |
4 | C5P | 0.9807 |
5 | FN5 | 0.9807 |
6 | H2U | 0.9799 |
7 | UMP | 0.9709 |
8 | DUS | 0.9706 |
9 | U | 0.9654 |
10 | TKW | 0.9624 |
11 | DU | 0.9596 |
12 | 5FU | 0.9577 |
13 | NUP | 0.9571 |
14 | 5BU | 0.9571 |
15 | U6M | 0.9566 |
16 | BMP | 0.9564 |
17 | BMQ | 0.9564 |
18 | DDN | 0.9543 |
19 | DCM | 0.9529 |
20 | DC | 0.9529 |
21 | UMC | 0.9510 |
22 | UFP | 0.9506 |
23 | BRU | 0.9482 |
24 | AIR | 0.9479 |
25 | UP6 | 0.9419 |
26 | TMP | 0.9402 |
27 | 5CM | 0.9387 |
28 | FNU | 0.9367 |
29 | AMP | 0.9364 |
30 | C2R | 0.9361 |
31 | 6CN | 0.9345 |
32 | CAR | 0.9334 |
33 | QBT | 0.9332 |
34 | DOC | 0.9327 |
35 | 5IU | 0.9321 |
36 | 8BR | 0.9257 |
37 | 16B | 0.9250 |
38 | 9L3 | 0.9232 |
39 | CNU | 0.9213 |
40 | S5P | 0.9198 |
41 | IMP | 0.9184 |
42 | 6AU | 0.9178 |
43 | AMZ | 0.9176 |
44 | 5HM | 0.9167 |
45 | NEC | 0.9153 |
46 | IRN | 0.9141 |
47 | IRP | 0.9106 |
48 | D4M | 0.9105 |
49 | 2DT | 0.9105 |
50 | FDM | 0.9087 |
51 | NIA | 0.9083 |
52 | DA | 0.9072 |
53 | 8OP | 0.9052 |
54 | OMP | 0.9034 |
55 | JW5 | 0.9034 |
56 | T3S | 0.9024 |
57 | NYM | 0.9014 |
58 | PFU | 0.9011 |
59 | CMP | 0.9002 |
60 | NCN | 0.8928 |
61 | 5GP | 0.8895 |
62 | 5HU | 0.8892 |
63 | N5O | 0.8891 |
64 | UDP | 0.8874 |
65 | CDP | 0.8874 |
66 | G | 0.8861 |
67 | UUA | 0.8834 |
68 | MTA | 0.8830 |
69 | 5QT | 0.8821 |
70 | 6SY | 0.8788 |
71 | SP1 | 0.8783 |
72 | IMU | 0.8775 |
73 | PZB | 0.8769 |
74 | FMP | 0.8769 |
75 | URI | 0.8752 |
76 | 8GM | 0.8751 |
77 | D5M | 0.8723 |
78 | RP1 | 0.8723 |
79 | ZAS | 0.8715 |
80 | 6MZ | 0.8693 |
81 | CTN | 0.8690 |
82 | 5UD | 0.8555 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GAL SIA | 0.8915 |
This union binding pocket(no: 1) in the query (biounit: 2x61.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2x61.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2x61.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2x61.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2x61.bio2) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2x61.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 2x61.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 2x61.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 2x61.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |