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- Structure Biounit | Ligand Information
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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 3 families. | |||||
1 | 2FR6 | - | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
2 | 1ZAB | - | URD | C10 H13 N O6 | C1C(=O)C=C.... |
3 | 2FR5 | - | TYU | C9 H16 N2 O6 | C1CN(C(=O).... |
4 | 1MQ0 | - | BRD | C10 H14 N2 O5 | C1=CNC(=O).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1UX1 | - | THU | C9 H14 N2 O5 | C1CN(C(=O).... |
2 | 1JTK | - | THU | C9 H14 N2 O5 | C1CN(C(=O).... |
3 | 1UX0 | - | THU | C9 H14 N2 O5 | C1CN(C(=O).... |
4 | 1UWZ | - | THU | C9 H14 N2 O5 | C1CN(C(=O).... |
5 | 2FR6 | - | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
6 | 1ZAB | - | URD | C10 H13 N O6 | C1C(=O)C=C.... |
7 | 2FR5 | - | TYU | C9 H16 N2 O6 | C1CN(C(=O).... |
8 | 1MQ0 | - | BRD | C10 H14 N2 O5 | C1=CNC(=O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BRD | 1 | 1 |
2 | ZEB | 0.534483 | 0.915254 |
3 | URI | 0.525424 | 0.915254 |
4 | DHZ | 0.516667 | 0.915254 |
5 | CJB | 0.47619 | 0.866667 |
6 | 2TU | 0.460317 | 0.84127 |
7 | URD | 0.451613 | 0.830508 |
8 | 5UD | 0.4375 | 0.84375 |
9 | CTD | 0.428571 | 0.85 |
10 | AR3 | 0.415385 | 0.870968 |
11 | CTN | 0.415385 | 0.870968 |
12 | GPU | 0.411765 | 0.8 |
13 | GPQ | 0.402985 | 0.8 |
14 | 5AE | 0.4 | 0.83871 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TYU | 0.9480 |
2 | GEO | 0.9285 |
3 | THM | 0.9230 |
4 | DCZ | 0.9209 |
5 | MCY | 0.9197 |
6 | DUR | 0.9175 |
7 | F01 | 0.9145 |
8 | B86 | 0.9131 |
9 | UUA | 0.9105 |
10 | DNB | 0.9087 |
11 | I5A | 0.9055 |
12 | THU | 0.9052 |
13 | 0DN | 0.9049 |
14 | ID2 | 0.9038 |
15 | ADN | 0.9029 |
16 | 5BT | 0.9016 |
17 | SCT | 0.9016 |
18 | DDU | 0.9006 |
19 | 5MD | 0.8997 |
20 | PIR | 0.8957 |
21 | DTR | 0.8921 |
22 | X11 | 0.8891 |
23 | DE3 | 0.8891 |
24 | 3DT | 0.8882 |
25 | 9UL | 0.8874 |
26 | ZYV | 0.8874 |
27 | 3D1 | 0.8869 |
28 | TRP | 0.8865 |
29 | NOS | 0.8849 |
30 | MOK | 0.8835 |
31 | 5AD | 0.8835 |
32 | W29 | 0.8831 |
33 | 5JT | 0.8825 |
34 | 1WC | 0.8824 |
35 | A | 0.8823 |
36 | TIA | 0.8811 |
37 | ZIQ | 0.8805 |
38 | UA2 | 0.8800 |
39 | 5NB | 0.8798 |
40 | IMH | 0.8792 |
41 | AD3 | 0.8782 |
42 | DBM | 0.8782 |
43 | TBN | 0.8776 |
44 | TMC | 0.8770 |
45 | 6J9 | 0.8742 |
46 | AHU | 0.8725 |
47 | LLT | 0.8724 |
48 | LDC | 0.8719 |
49 | 4OG | 0.8707 |
50 | NIR | 0.8705 |
51 | HNL | 0.8704 |
52 | 3BH | 0.8699 |
53 | PQT | 0.8699 |
54 | CH9 | 0.8696 |
55 | 9DI | 0.8691 |
56 | GMP | 0.8669 |
57 | RFZ | 0.8663 |
58 | ING | 0.8655 |
59 | PF1 | 0.8654 |
60 | C0H | 0.8652 |
61 | 5ID | 0.8648 |
62 | M02 | 0.8643 |
63 | TR7 | 0.8641 |
64 | RBV | 0.8638 |
65 | WOE | 0.8628 |
66 | 9PL | 0.8627 |
67 | FTU | 0.8625 |
68 | CCV | 0.8625 |
69 | EXR | 0.8622 |
70 | MTA | 0.8615 |
71 | 3L1 | 0.8614 |
72 | B2T | 0.8572 |
73 | 1QP | 0.8563 |
74 | JZA | 0.8559 |
75 | MXD | 0.8552 |
76 | SOV | 0.8529 |
77 | FHC | 0.8524 |
78 | ENO | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 1mq0.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1mq0.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1mq0.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1mq0.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |