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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 1 families. | |||||
1 | 2CIR | Kd = 200 uM | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
2 | 2CIS | Kd = 0.985 mM | TA6 | C6 H13 O9 P | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2CIR | Kd = 200 uM | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
2 | 2CIS | Kd = 0.985 mM | TA6 | C6 H13 O9 P | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TA6 | 1 | 1 |
2 | F6P | 1 | 1 |
3 | FBP | 0.666667 | 0.954545 |
4 | AFP | 0.666667 | 0.954545 |
5 | SF6 | 0.564103 | 0.744186 |
6 | FRU | 0.564103 | 0.744186 |
7 | PSV | 0.564103 | 0.744186 |
8 | LFR | 0.564103 | 0.744186 |
9 | SF9 | 0.564103 | 0.744186 |
10 | FDP | 0.55102 | 0.954545 |
11 | F1X | 0.531915 | 1 |
12 | QIF | 0.489796 | 0.787234 |
13 | FRU FRU FRU FRU | 0.464286 | 0.755556 |
14 | FRU FRU FRU | 0.464286 | 0.755556 |
15 | Z9N GLC | 0.45614 | 0.73913 |
16 | S7P | 0.444444 | 0.976744 |
17 | AHG | 0.431818 | 0.886364 |
18 | ABF | 0.404255 | 0.906977 |
19 | HSX | 0.404255 | 0.906977 |
20 | RP5 | 0.404255 | 0.906977 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | M6P | 0.9441 |
2 | D6G | 0.9271 |
3 | M6D | 0.9266 |
4 | A6P | 0.9194 |
5 | BGP | 0.9189 |
6 | FER | 0.9173 |
7 | PLP | 0.9153 |
8 | G6P | 0.9151 |
9 | GJK | 0.9147 |
10 | BG6 | 0.9105 |
11 | 3LJ | 0.9101 |
12 | GLP | 0.9089 |
13 | N7I | 0.9050 |
14 | NPL | 0.9037 |
15 | 4R1 | 0.9011 |
16 | PLR | 0.8990 |
17 | PMP | 0.8989 |
18 | F1P | 0.8983 |
19 | CIY | 0.8981 |
20 | R1P | 0.8981 |
21 | C9M | 0.8979 |
22 | A5P | 0.8967 |
23 | TU0 | 0.8967 |
24 | GRF | 0.8965 |
25 | RP3 | 0.8947 |
26 | IOP | 0.8939 |
27 | LXP | 0.8923 |
28 | 5RP | 0.8910 |
29 | DX5 | 0.8886 |
30 | P80 | 0.8871 |
31 | YTX | 0.8867 |
32 | M1P | 0.8862 |
33 | R5P | 0.8860 |
34 | RGG | 0.8859 |
35 | I2E | 0.8853 |
36 | DHC | 0.8845 |
37 | HE8 | 0.8830 |
38 | G1P | 0.8829 |
39 | 9C2 | 0.8816 |
40 | STT | 0.8807 |
41 | 5SP | 0.8807 |
42 | AZY | 0.8804 |
43 | 1X4 | 0.8800 |
44 | LSQ | 0.8795 |
45 | D5X | 0.8794 |
46 | PAL | 0.8793 |
47 | PZP | 0.8784 |
48 | PLP PMP | 0.8784 |
49 | 6Q3 | 0.8781 |
50 | 14W | 0.8776 |
51 | AC2 | 0.8773 |
52 | JV4 | 0.8772 |
53 | R10 | 0.8771 |
54 | PMV | 0.8771 |
55 | 26E | 0.8765 |
56 | 9BF | 0.8763 |
57 | IOS | 0.8762 |
58 | 6PR | 0.8760 |
59 | MPP | 0.8755 |
60 | EXD | 0.8751 |
61 | PAU | 0.8745 |
62 | TRP | 0.8740 |
63 | PXP | 0.8739 |
64 | RCV | 0.8737 |
65 | 9F8 | 0.8735 |
66 | 5WN | 0.8733 |
67 | TX4 | 0.8726 |
68 | IL5 | 0.8724 |
69 | 5WM | 0.8721 |
70 | NIY | 0.8721 |
71 | DAH | 0.8720 |
72 | 4FE | 0.8717 |
73 | 4U7 | 0.8712 |
74 | IPT | 0.8711 |
75 | 4Z9 | 0.8709 |
76 | MUK | 0.8706 |
77 | X04 | 0.8702 |
78 | KWB | 0.8699 |
79 | J5B | 0.8697 |
80 | TZM | 0.8696 |
81 | HPT | 0.8693 |
82 | 1QV | 0.8690 |
83 | YO5 | 0.8689 |
84 | ZIP | 0.8688 |
85 | CTE | 0.8682 |
86 | IYR | 0.8681 |
87 | TZP | 0.8679 |
88 | 7VY | 0.8674 |
89 | QR2 | 0.8667 |
90 | YOF | 0.8666 |
91 | NFZ | 0.8661 |
92 | LRW | 0.8659 |
93 | DLT | 0.8658 |
94 | DG2 | 0.8654 |
95 | H35 | 0.8653 |
96 | R52 | 0.8646 |
97 | H7Y | 0.8643 |
98 | GPM | 0.8642 |
99 | GO8 | 0.8642 |
100 | X48 | 0.8639 |
101 | 6DP | 0.8638 |
102 | GT1 | 0.8630 |
103 | 6HP | 0.8627 |
104 | DER | 0.8627 |
105 | PTS | 0.8627 |
106 | B41 | 0.8624 |
107 | 8U3 | 0.8622 |
108 | QH3 | 0.8620 |
109 | PE2 | 0.8620 |
110 | PBG | 0.8618 |
111 | L21 | 0.8615 |
112 | GZ2 | 0.8612 |
113 | 5E5 | 0.8606 |
114 | S3P | 0.8602 |
115 | AMR | 0.8600 |
116 | RES | 0.8590 |
117 | PA5 | 0.8588 |
118 | MMS | 0.8579 |
119 | CL9 | 0.8575 |
120 | LTN | 0.8574 |
121 | 6NZ | 0.8568 |
122 | P7Y | 0.8562 |
123 | MUX | 0.8556 |
124 | XEN | 0.8548 |
125 | 1VQ | 0.8547 |
126 | N88 | 0.8530 |
127 | S7S | 0.8529 |
128 | DTR | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 2cir.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |