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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4OWN | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
2 | 4X5C | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
3 | 4X58 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
4 | 4OWV | Ki = 45 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
5 | 4X5D | - | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
6 | 4N8Q | Ki = 380 uM | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
7 | 4OWS | - | 4M0 | C8 H9 N O2 | Cc1ccc(c(c.... |
8 | 4X59 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
9 | 4N5V | - | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
10 | 4GIU | Ki = 4.7 uM | 636 | C16 H15 N O4 | Cc1ccc(c(c.... |
11 | 4OWM | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
12 | 4OWU | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
13 | 4OWO | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
14 | 4X5E | Ki = 89 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
15 | 4IJ1 | Ki = 4 uM | 17C | C14 H11 N O4 | c1ccc(c(c1.... |
16 | 4N93 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
17 | 4OWQ | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
18 | 4X5B | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
19 | 4M0R | Ki = 6.2 uM | 644 | C21 H16 N2 O6 | c1ccc(c(c1.... |
20 | 4GKM | Ki = 6.8 uM | 683 | C15 H13 N O4 | Cc1ccc(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4OWN | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
2 | 4X5C | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
3 | 4X58 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
4 | 4OWV | Ki = 45 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
5 | 4X5D | - | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
6 | 4N8Q | Ki = 380 uM | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
7 | 4OWS | - | 4M0 | C8 H9 N O2 | Cc1ccc(c(c.... |
8 | 4X59 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
9 | 4N5V | - | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
10 | 4GIU | Ki = 4.7 uM | 636 | C16 H15 N O4 | Cc1ccc(c(c.... |
11 | 4OWM | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
12 | 4OWU | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
13 | 4OWO | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
14 | 4X5E | Ki = 89 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
15 | 4IJ1 | Ki = 4 uM | 17C | C14 H11 N O4 | c1ccc(c(c1.... |
16 | 4N93 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
17 | 4OWQ | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
18 | 4X5B | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
19 | 4M0R | Ki = 6.2 uM | 644 | C21 H16 N2 O6 | c1ccc(c(c1.... |
20 | 4GKM | Ki = 6.8 uM | 683 | C15 H13 N O4 | Cc1ccc(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 683 | 1 | 1 |
2 | 17C | 0.651163 | 0.965517 |
3 | 644 | 0.54902 | 0.903226 |
4 | ID8 | 0.517857 | 0.833333 |
5 | TLF | 0.5 | 0.757576 |
6 | OFL | 0.473684 | 0.764706 |
7 | BNY | 0.467742 | 0.674419 |
8 | EHO | 0.462963 | 0.827586 |
9 | CJZ | 0.457627 | 0.722222 |
10 | P2C | 0.444444 | 0.675 |
11 | EHR | 0.442623 | 0.8 |
12 | 5E4 | 0.433333 | 0.727273 |
13 | JMS | 0.428571 | 0.787879 |
14 | EHU | 0.42029 | 0.722222 |
15 | ZZ8 | 0.415094 | 0.78125 |
16 | EH6 | 0.409091 | 0.735294 |
17 | FLF | 0.40625 | 0.705882 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PRP | 1 | 1 |
2 | RI2 | 0.695652 | 0.975 |
3 | PPC | 0.615385 | 0.930233 |
4 | G16 | 0.588235 | 0.883721 |
5 | A6P | 0.5 | 0.880952 |
6 | M6D | 0.5 | 0.880952 |
7 | BG6 | 0.5 | 0.880952 |
8 | BGP | 0.5 | 0.880952 |
9 | HSX | 0.5 | 0.975 |
10 | M6P | 0.5 | 0.880952 |
11 | G6P | 0.5 | 0.880952 |
12 | AHG | 0.5 | 0.904762 |
13 | RP5 | 0.5 | 0.975 |
14 | ABF | 0.5 | 0.975 |
15 | GRF | 0.45098 | 0.745098 |
16 | FDQ | 0.425926 | 0.883721 |
17 | RF5 | 0.415094 | 0.863636 |
18 | 50A | 0.415094 | 0.863636 |
19 | R1P | 0.411765 | 0.951219 |
20 | GLP | 0.410714 | 0.74 |
21 | 4R1 | 0.410714 | 0.74 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 8P3 | 0.9197 |
2 | EZN | 0.9142 |
3 | 6J3 | 0.9127 |
4 | 64I | 0.9090 |
5 | 4E5 | 0.9077 |
6 | 636 | 0.9058 |
7 | 27M | 0.9053 |
8 | BGC OXZ | 0.9033 |
9 | EAJ | 0.9010 |
10 | WOE | 0.8997 |
11 | 145 | 0.8994 |
12 | TCC | 0.8990 |
13 | LUR | 0.8973 |
14 | 9MR | 0.8966 |
15 | 43U | 0.8959 |
16 | 43F | 0.8936 |
17 | ELH | 0.8926 |
18 | Z2T | 0.8910 |
19 | AJD | 0.8908 |
20 | BGC BGC | 0.8903 |
21 | QLH | 0.8894 |
22 | 2GD | 0.8893 |
23 | 6EN | 0.8892 |
24 | BMA BGC | 0.8891 |
25 | Z15 | 0.8879 |
26 | Z57 | 0.8864 |
27 | BMA GAL | 0.8861 |
28 | BGC GAL | 0.8852 |
29 | AUV | 0.8847 |
30 | GPK | 0.8837 |
31 | M0Y | 0.8823 |
32 | ZT2 | 0.8822 |
33 | GLC GAL | 0.8822 |
34 | E44 | 0.8819 |
35 | 38B | 0.8819 |
36 | BBY | 0.8816 |
37 | NFG | 0.8815 |
38 | AYS | 0.8807 |
39 | 43S | 0.8799 |
40 | TCW | 0.8788 |
41 | IFM BGC | 0.8784 |
42 | Z16 | 0.8784 |
43 | XZ8 | 0.8783 |
44 | WL3 | 0.8777 |
45 | AFX | 0.8765 |
46 | SER DNF | 0.8764 |
47 | AKD | 0.8763 |
48 | SHG BGC | 0.8763 |
49 | DKZ | 0.8761 |
50 | E3Y | 0.8754 |
51 | GPU | 0.8753 |
52 | GLO BGC | 0.8744 |
53 | 42M | 0.8740 |
54 | RVN | 0.8738 |
55 | DK4 | 0.8735 |
56 | GLC GLC | 0.8717 |
57 | FUC GAL | 0.8714 |
58 | 6GR | 0.8711 |
59 | 7M9 | 0.8710 |
60 | SA0 | 0.8708 |
61 | DIF | 0.8707 |
62 | IQQ | 0.8698 |
63 | 4GU | 0.8696 |
64 | IMB | 0.8687 |
65 | NE1 | 0.8677 |
66 | AZZ | 0.8674 |
67 | DBQ | 0.8673 |
68 | A4G | 0.8659 |
69 | 2GE | 0.8650 |
70 | CJB | 0.8649 |
71 | B2T | 0.8644 |
72 | IFM BMA | 0.8638 |
73 | GLC BGC | 0.8637 |
74 | DKX | 0.8635 |
75 | FHI | 0.8632 |
76 | DNF SER | 0.8629 |
77 | 36Z | 0.8625 |
78 | Q4G | 0.8614 |
79 | 581 | 0.8610 |
80 | L5D | 0.8609 |
81 | XYP XDN | 0.8599 |
82 | SNB | 0.8597 |
83 | SGP | 0.8571 |
84 | 1FL | 0.8567 |
85 | THM | 0.8564 |
86 | 6QT | 0.8562 |
87 | ARJ | 0.8546 |
88 | NOC | 0.8546 |
89 | MEX | 0.8537 |
90 | 8UY | 0.8535 |
91 | 1ER | 0.8518 |
92 | FC3 | 0.8508 |
93 | 5UD | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 4m0r.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4m0r.bio1) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |