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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- 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 | 2HHJ | - | DG2 | C3 H8 O10 P2 | C([C@H](C(.... |
2 | 2F90 | - | ALF 3PG | n/a | n/a |
3 | 2A9J | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
4 | 2H4X | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
5 | 2H4Z | - | DG2 | C3 H8 O10 P2 | C([C@H](C(.... |
6 | 2H52 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2HHJ | - | DG2 | C3 H8 O10 P2 | C([C@H](C(.... |
2 | 2F90 | - | ALF 3PG | n/a | n/a |
3 | 2A9J | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
4 | 2H4X | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
5 | 2H4Z | - | DG2 | C3 H8 O10 P2 | C([C@H](C(.... |
6 | 2H52 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
7 | 3GP3 | - | SEP | C3 H8 N O6 P | C([C@@H](C.... |
8 | 3LNT | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
9 | 1QHF | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
10 | 1BQ4 | Ki = 6 uM | BHC | C12 H6 O12 | c1(c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DG2 | 1 | 1 |
2 | 2PG | 0.5625 | 0.939394 |
3 | PEZ | 0.529412 | 0.848485 |
4 | 3PG | 0.485714 | 0.909091 |
5 | PA5 | 0.475 | 0.911765 |
6 | R10 | 0.475 | 0.911765 |
7 | DEZ | 0.473684 | 0.911765 |
8 | DER | 0.473684 | 0.911765 |
9 | SEP | 0.459459 | 0.675 |
10 | 6PG | 0.452381 | 0.911765 |
11 | LG6 | 0.452381 | 0.911765 |
12 | 036 | 0.444444 | 0.857143 |
13 | 035 | 0.444444 | 0.857143 |
14 | 4TP | 0.414634 | 0.756098 |
15 | HMS | 0.404762 | 0.810811 |
16 | 5RP | 0.404762 | 0.810811 |
17 | 5SP | 0.404762 | 0.810811 |
18 | PEQ | 0.4 | 0.75 |
19 | 0V5 | 0.4 | 0.75 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ALF 3PG | 0.9551 |
2 | G01 | 0.9422 |
3 | IPR | 0.9116 |
4 | HCA | 0.9115 |
5 | ALA LEU | 0.9098 |
6 | CIT | 0.9079 |
7 | G88 | 0.9073 |
8 | I7A | 0.9072 |
9 | CSN | 0.9061 |
10 | ALA ZGL | 0.9046 |
11 | NLQ | 0.9042 |
12 | NLG | 0.9041 |
13 | QIF | 0.9012 |
14 | DED | 0.9011 |
15 | ALA DGL | 0.9009 |
16 | LXP | 0.9008 |
17 | MZM | 0.9005 |
18 | U7E | 0.9000 |
19 | C26 | 0.8997 |
20 | PHY | 0.8991 |
21 | IPE | 0.8982 |
22 | DMA | 0.8963 |
23 | AQK | 0.8955 |
24 | FLC | 0.8943 |
25 | HJ7 | 0.8923 |
26 | EKN | 0.8915 |
27 | 5WN | 0.8914 |
28 | NQM | 0.8900 |
29 | AVO | 0.8898 |
30 | PDC | 0.8888 |
31 | R1P | 0.8886 |
32 | D6G | 0.8877 |
33 | BG6 | 0.8874 |
34 | IOS | 0.8868 |
35 | PPK | 0.8866 |
36 | G6P | 0.8856 |
37 | PMV | 0.8848 |
38 | LEL | 0.8848 |
39 | HCT | 0.8847 |
40 | VM1 | 0.8844 |
41 | AVJ | 0.8839 |
42 | FWB | 0.8837 |
43 | GLP | 0.8830 |
44 | 3LJ | 0.8830 |
45 | 3PO | 0.8815 |
46 | 0FA | 0.8815 |
47 | GLY LEU | 0.8814 |
48 | 49P | 0.8813 |
49 | AOZ | 0.8811 |
50 | QMS | 0.8810 |
51 | CXA | 0.8809 |
52 | LX1 | 0.8807 |
53 | DY8 | 0.8799 |
54 | NIG | 0.8799 |
55 | BGP | 0.8797 |
56 | S3P | 0.8795 |
57 | M3Q | 0.8794 |
58 | AZM | 0.8792 |
59 | TU0 | 0.8790 |
60 | DA4 | 0.8781 |
61 | 0GY | 0.8778 |
62 | ALA GLN | 0.8773 |
63 | GLY ASP | 0.8758 |
64 | NCD | 0.8756 |
65 | G1P | 0.8753 |
66 | LRW | 0.8750 |
67 | EWG | 0.8749 |
68 | TNG | 0.8742 |
69 | XEN | 0.8736 |
70 | 5F5 | 0.8729 |
71 | 5TZ | 0.8724 |
72 | 790 | 0.8723 |
73 | IL5 | 0.8721 |
74 | BZS | 0.8715 |
75 | ING | 0.8702 |
76 | 23N | 0.8699 |
77 | BOQ | 0.8691 |
78 | TX4 | 0.8690 |
79 | 7QD | 0.8682 |
80 | F6P | 0.8681 |
81 | DX5 | 0.8673 |
82 | GFP | 0.8672 |
83 | A6P | 0.8672 |
84 | MNP | 0.8666 |
85 | TRP | 0.8665 |
86 | HSA | 0.8664 |
87 | ALA GLU | 0.8663 |
88 | 6DP | 0.8662 |
89 | PTS | 0.8660 |
90 | M1P | 0.8659 |
91 | ATX | 0.8657 |
92 | 2UZ | 0.8656 |
93 | AOR | 0.8655 |
94 | TA6 | 0.8654 |
95 | F1X | 0.8651 |
96 | 2CG | 0.8649 |
97 | SSC | 0.8626 |
98 | JV4 | 0.8622 |
99 | 14W | 0.8621 |
100 | MP5 | 0.8617 |
101 | GPM | 0.8601 |
102 | CH5 | 0.8596 |
103 | M6P | 0.8594 |
104 | IOP | 0.8590 |
105 | 9BF | 0.8589 |
106 | DXP | 0.8585 |
107 | K48 | 0.8583 |
108 | AVA | 0.8576 |
109 | MRU | 0.8575 |
110 | AGP | 0.8571 |
111 | RSM | 0.8561 |
112 | 3EB | 0.8556 |
113 | AVI | 0.8555 |
114 | OW7 | 0.8553 |
115 | H6P | 0.8550 |
116 | TRC | 0.8550 |
117 | 6HP | 0.8540 |
118 | CE2 | 0.8534 |
This union binding pocket(no: 1) in the query (biounit: 2hhj.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2hhj.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2hhj.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2hhj.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |