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- 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 2 families. | |||||
1 | 2ZYA | - | 6PG | C6 H13 O10 P | C([C@H]([C.... |
2 | 3FWN | - | ATR | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
3 | 2ZYD | - | GLO | C6 H12 O6 | C([C@H]([C.... |
4 | 2W8Z | - | 6PG | C6 H13 O10 P | C([C@H]([C.... |
5 | 2W90 | - | 6PG | C6 H13 O10 P | C([C@H]([C.... |
6 | 1PGP | Kd = 2 uM | 6PG | C6 H13 O10 P | C([C@H]([C.... |
7 | 4GWK | Kd = 460 uM | 3PG | C3 H7 O7 P | C([C@H](C(.... |
8 | 1PGO | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
9 | 1PGN | - | NBP | C21 H27 Br N7 O17 P3 | c1cc(c[n+].... |
10 | 2IYO | - | 6PG | C6 H13 O10 P | C([C@H]([C.... |
11 | 2IZ1 | - | RES | C4 H10 N O8 P | C([C@H]([C.... |
12 | 2P4Q | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2ZYA | - | 6PG | C6 H13 O10 P | C([C@H]([C.... |
2 | 3FWN | - | ATR | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
3 | 2ZYD | - | GLO | C6 H12 O6 | C([C@H]([C.... |
4 | 6FQZ | - | 6PG | C6 H13 O10 P | C([C@H]([C.... |
5 | 2W8Z | - | 6PG | C6 H13 O10 P | C([C@H]([C.... |
6 | 2W90 | - | 6PG | C6 H13 O10 P | C([C@H]([C.... |
7 | 1PGP | Kd = 2 uM | 6PG | C6 H13 O10 P | C([C@H]([C.... |
8 | 4GWK | Kd = 460 uM | 3PG | C3 H7 O7 P | C([C@H](C(.... |
9 | 1PGO | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
10 | 1PGN | - | NBP | C21 H27 Br N7 O17 P3 | c1cc(c[n+].... |
11 | 2IYO | - | 6PG | C6 H13 O10 P | C([C@H]([C.... |
12 | 2IZ1 | - | RES | C4 H10 N O8 P | C([C@H]([C.... |
13 | 2P4Q | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6PG | 1 | 1 |
2 | LG6 | 1 | 1 |
3 | R10 | 0.72973 | 1 |
4 | PA5 | 0.72973 | 1 |
5 | I22 | 0.658537 | 0.916667 |
6 | GOS | 0.647059 | 0.914286 |
7 | M2P | 0.647059 | 0.914286 |
8 | DEZ | 0.605263 | 1 |
9 | DER | 0.605263 | 1 |
10 | KD0 | 0.568182 | 1 |
11 | S6P | 0.564103 | 0.861111 |
12 | F6R | 0.534884 | 0.916667 |
13 | TG6 | 0.534884 | 0.916667 |
14 | G6Q | 0.511628 | 0.970588 |
15 | AGP | 0.511628 | 0.704545 |
16 | M6R | 0.511628 | 0.704545 |
17 | PAN | 0.511111 | 0.702128 |
18 | P6T | 0.511111 | 0.942857 |
19 | P6F | 0.511111 | 0.942857 |
20 | 2FP | 0.511111 | 0.942857 |
21 | CS2 | 0.5 | 0.6 |
22 | R5P | 0.5 | 0.970588 |
23 | LX1 | 0.5 | 0.861111 |
24 | 9C2 | 0.5 | 0.6875 |
25 | GCO | 0.5 | 0.6 |
26 | 4TP | 0.5 | 0.829268 |
27 | DX5 | 0.5 | 0.837838 |
28 | R52 | 0.5 | 0.970588 |
29 | A5P | 0.5 | 0.837838 |
30 | LXP | 0.5 | 0.837838 |
31 | 1NT | 0.490196 | 1 |
32 | 5SP | 0.488372 | 0.891892 |
33 | 5RP | 0.488372 | 0.891892 |
34 | HMS | 0.488372 | 0.891892 |
35 | LRY | 0.48 | 0.75 |
36 | H4P | 0.479167 | 0.727273 |
37 | 52L | 0.479167 | 0.755556 |
38 | DXP | 0.47619 | 0.861111 |
39 | TX4 | 0.465116 | 0.659574 |
40 | DG6 | 0.465116 | 0.815789 |
41 | 3PG | 0.461538 | 0.941176 |
42 | HG3 | 0.459459 | 0.882353 |
43 | DG2 | 0.452381 | 0.911765 |
44 | RUB | 0.444444 | 0.888889 |
45 | RES | 0.444444 | 0.702128 |
46 | XBP | 0.444444 | 0.888889 |
47 | O1B | 0.442308 | 0.647059 |
48 | FQ8 | 0.425532 | 0.864865 |
49 | PAI | 0.415094 | 0.75 |
50 | E4P | 0.404762 | 0.911765 |
51 | SEP | 0.404762 | 0.707317 |
52 | 22H | 0.4 | 0.693878 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CT0 | 0.9038 |
2 | DOC | 0.8982 |
3 | PTR | 0.8943 |
4 | QTD | 0.8933 |
5 | GAR | 0.8907 |
6 | TFQ | 0.8899 |
7 | NFZ | 0.8872 |
8 | MKN | 0.8852 |
9 | IRN | 0.8843 |
10 | UMP | 0.8843 |
11 | M3L | 0.8839 |
12 | GK8 | 0.8837 |
13 | DCM | 0.8833 |
14 | UN3 | 0.8830 |
15 | IGP | 0.8819 |
16 | 16G | 0.8814 |
17 | ALA ALA ALA | 0.8798 |
18 | FER | 0.8793 |
19 | S7P | 0.8789 |
20 | IJ6 | 0.8788 |
21 | W1G | 0.8776 |
22 | 3VR | 0.8775 |
23 | TBJ | 0.8771 |
24 | GHQ | 0.8770 |
25 | FLP | 0.8765 |
26 | D6P | 0.8764 |
27 | 3CX | 0.8762 |
28 | EP1 | 0.8752 |
29 | PHQ ALA | 0.8744 |
30 | 2E5 | 0.8743 |
31 | VGS | 0.8735 |
32 | RK4 | 0.8728 |
33 | A9B | 0.8726 |
34 | DI9 | 0.8717 |
35 | 2O8 | 0.8709 |
36 | JF5 | 0.8696 |
37 | M28 | 0.8696 |
38 | LYS PRO | 0.8696 |
39 | C5F | 0.8693 |
40 | F6P | 0.8691 |
41 | BZM | 0.8683 |
42 | 8V8 | 0.8683 |
43 | PMV | 0.8680 |
44 | FBP | 0.8671 |
45 | HHB | 0.8667 |
46 | VFM | 0.8663 |
47 | AIR | 0.8661 |
48 | S62 | 0.8660 |
49 | BSA | 0.8660 |
50 | RDV | 0.8660 |
51 | 0K7 | 0.8654 |
52 | 49P | 0.8650 |
53 | 5ER | 0.8642 |
54 | HSA | 0.8639 |
55 | MGB | 0.8639 |
56 | PAU | 0.8636 |
57 | IPE | 0.8634 |
58 | 5TT | 0.8631 |
59 | G6P | 0.8627 |
60 | RI2 | 0.8618 |
61 | A5K | 0.8612 |
62 | PLP | 0.8608 |
63 | 1OS | 0.8606 |
64 | FZ0 | 0.8602 |
65 | P8D | 0.8600 |
66 | 6C4 | 0.8596 |
67 | 2E6 | 0.8596 |
68 | 2E4 | 0.8595 |
69 | NY4 | 0.8592 |
70 | 1BW | 0.8588 |
71 | AHL | 0.8586 |
72 | 9JH | 0.8585 |
73 | D1Y | 0.8585 |
74 | DHJ | 0.8584 |
75 | BVS | 0.8578 |
76 | GGG | 0.8571 |
77 | YI6 | 0.8571 |
78 | IS2 | 0.8566 |
79 | OSP | 0.8562 |
80 | H2U | 0.8562 |
81 | NPS | 0.8559 |
82 | WV7 | 0.8558 |
83 | 6MW | 0.8558 |
84 | B15 | 0.8554 |
85 | XI7 | 0.8553 |
86 | ARG | 0.8548 |
87 | NK5 | 0.8541 |
88 | 1XS | 0.8526 |
89 | PZX | 0.8523 |
90 | MRU | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 2w90.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |