- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 3 families. | |||||
1 | 1ALN | - | CTD | C10 H14 N2 O5 | C1=CN(C(=O.... |
2 | 1CTU | Ki = 1.2 pM | ZEB | C9 H14 N2 O6 | C1=CN(C(=O.... |
3 | 1CTT | Ki = 30 uM | DHZ | C9 H14 N2 O5 | C1C=CN(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1ALN | - | CTD | C10 H14 N2 O5 | C1=CN(C(=O.... |
2 | 1CTU | Ki = 1.2 pM | ZEB | C9 H14 N2 O6 | C1=CN(C(=O.... |
3 | 1CTT | Ki = 30 uM | DHZ | C9 H14 N2 O5 | C1C=CN(C(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ZEB | 1 | 1 |
2 | DHZ | 0.571429 | 0.966102 |
3 | URI | 0.553571 | 0.966102 |
4 | BRD | 0.534483 | 0.915254 |
5 | CJB | 0.5 | 0.916667 |
6 | 2TU | 0.483333 | 0.888889 |
7 | 5UD | 0.483333 | 0.890625 |
8 | CTD | 0.45 | 0.9 |
9 | URD | 0.45 | 0.85 |
10 | GPQ | 0.444444 | 0.846154 |
11 | GPK | 0.4375 | 0.846154 |
12 | CTN | 0.435484 | 0.919355 |
13 | AR3 | 0.435484 | 0.919355 |
14 | GPU | 0.430769 | 0.846154 |
15 | D1J | 0.430556 | 0.820895 |
16 | 5AE | 0.419355 | 0.887097 |
17 | D1M | 0.411765 | 0.873016 |
18 | F01 | 0.4 | 0.850746 |
19 | DDN | 0.4 | 0.771429 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TYU | 0.9810 |
2 | THU | 0.9702 |
3 | DUR | 0.9574 |
4 | GEO | 0.9516 |
5 | DCZ | 0.9491 |
6 | PIR | 0.9443 |
7 | UUA | 0.9441 |
8 | MZR | 0.9382 |
9 | DDU | 0.9374 |
10 | THM | 0.9364 |
11 | DNB | 0.9361 |
12 | I5A | 0.9341 |
13 | LDC | 0.9328 |
14 | MCY | 0.9282 |
15 | B86 | 0.9274 |
16 | 0DN | 0.9268 |
17 | 5BT | 0.9236 |
18 | LLT | 0.9226 |
19 | ADN | 0.9222 |
20 | ID2 | 0.9182 |
21 | X11 | 0.9157 |
22 | K80 | 0.9133 |
23 | PRH | 0.9084 |
24 | HPR | 0.9084 |
25 | 1A7 | 0.9077 |
26 | M02 | 0.9077 |
27 | W29 | 0.9071 |
28 | SCT | 0.9069 |
29 | 5MD | 0.9059 |
30 | 3DT | 0.9057 |
31 | L13 | 0.9056 |
32 | 2B4 | 0.9050 |
33 | 5CD | 0.9032 |
34 | LTT | 0.9031 |
35 | 3SU | 0.9028 |
36 | XIF XYP | 0.9020 |
37 | TRP | 0.9020 |
38 | 5AD | 0.9013 |
39 | E0O | 0.9007 |
40 | R9G | 0.8998 |
41 | 5FD | 0.8988 |
42 | UA2 | 0.8988 |
43 | 3D1 | 0.8987 |
44 | PUR | 0.8986 |
45 | Y3J | 0.8977 |
46 | NOS | 0.8976 |
47 | A | 0.8967 |
48 | 1DA | 0.8957 |
49 | N8Z | 0.8947 |
50 | RBV | 0.8945 |
51 | IMH | 0.8942 |
52 | 9UL | 0.8937 |
53 | FMB | 0.8928 |
54 | TIA | 0.8928 |
55 | AHU | 0.8922 |
56 | 5N5 | 0.8921 |
57 | KYN | 0.8920 |
58 | AD3 | 0.8913 |
59 | SY4 | 0.8902 |
60 | TBN | 0.8893 |
61 | TIZ | 0.8885 |
62 | A4D | 0.8879 |
63 | 3AD | 0.8870 |
64 | DBM | 0.8864 |
65 | XYP XIF | 0.8862 |
66 | XDK | 0.8857 |
67 | 5ID | 0.8856 |
68 | M01 | 0.8847 |
69 | ARJ | 0.8844 |
70 | TMC | 0.8842 |
71 | HNL | 0.8835 |
72 | 5F1 | 0.8828 |
73 | PF1 | 0.8827 |
74 | AP4 | 0.8803 |
75 | 3BH | 0.8801 |
76 | TH4 | 0.8796 |
77 | Y4L | 0.8790 |
78 | RPP | 0.8789 |
79 | MTP | 0.8788 |
80 | 2FA | 0.8788 |
81 | ZIQ | 0.8784 |
82 | CK2 | 0.8783 |
83 | 1KN | 0.8777 |
84 | OCZ | 0.8769 |
85 | 5I5 | 0.8768 |
86 | CC5 | 0.8762 |
87 | BTM | 0.8761 |
88 | TYR | 0.8761 |
89 | FMC | 0.8760 |
90 | C53 | 0.8758 |
91 | WSD | 0.8758 |
92 | KTJ | 0.8757 |
93 | RVD | 0.8756 |
94 | 5NB | 0.8756 |
95 | DTR | 0.8750 |
96 | B2T | 0.8740 |
97 | ZYV | 0.8737 |
98 | DTY | 0.8735 |
99 | 7D7 | 0.8734 |
100 | BZE | 0.8733 |
101 | 5JT | 0.8732 |
102 | HNH | 0.8727 |
103 | HNK | 0.8717 |
104 | FTV | 0.8714 |
105 | MTA | 0.8714 |
106 | EN1 | 0.8712 |
107 | 0GA | 0.8708 |
108 | CH9 | 0.8706 |
109 | 1Z6 | 0.8704 |
110 | AZZ | 0.8695 |
111 | DAH | 0.8690 |
112 | NNR | 0.8685 |
113 | C0H | 0.8682 |
114 | E01 | 0.8678 |
115 | XYA | 0.8672 |
116 | 6J9 | 0.8671 |
117 | DIF | 0.8664 |
118 | EXR | 0.8664 |
119 | 50C | 0.8660 |
120 | 6HO | 0.8658 |
121 | T2D | 0.8650 |
122 | 78U | 0.8646 |
123 | GMP | 0.8643 |
124 | MMS | 0.8639 |
125 | JZA | 0.8631 |
126 | PFF | 0.8619 |
127 | 9FG | 0.8611 |
128 | DKX | 0.8587 |
129 | 3VW | 0.8580 |
130 | 4BF | 0.8578 |
131 | DKZ | 0.8569 |
132 | BDJ | 0.8547 |
133 | 9PL | 0.8541 |
This union binding pocket(no: 1) in the query (biounit: 1ctu.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1ctu.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |