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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1F0L | - | APU | C19 H25 N7 O15 P2 | c1nc(c2c(n.... |
2 | 1TOX | Kd = 10 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
3 | 1DDT | - | APU | C19 H25 N7 O15 P2 | c1nc(c2c(n.... |
4 | 1MDT | - | APU | C19 H25 N7 O15 P2 | c1nc(c2c(n.... |
5 | 4AE1 | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1F0L | - | APU | C19 H25 N7 O15 P2 | c1nc(c2c(n.... |
2 | 1TOX | Kd = 10 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
3 | 1DDT | - | APU | C19 H25 N7 O15 P2 | c1nc(c2c(n.... |
4 | 1MDT | - | APU | C19 H25 N7 O15 P2 | c1nc(c2c(n.... |
5 | 4AE1 | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | APU | 1 | 1 |
2 | UPA | 0.678261 | 0.960526 |
3 | PUA | 0.619048 | 0.935897 |
4 | UP5 | 0.605042 | 0.947368 |
5 | 4TC | 0.595041 | 0.923077 |
6 | PUP | 0.581818 | 0.831169 |
7 | 3AM | 0.581633 | 0.905405 |
8 | PAP | 0.575472 | 0.906667 |
9 | A3P | 0.563107 | 0.918919 |
10 | PPS | 0.559633 | 0.809524 |
11 | 9BG | 0.546875 | 0.898734 |
12 | LQJ | 0.546219 | 0.92 |
13 | 139 | 0.53125 | 0.924051 |
14 | UPU | 0.527778 | 0.853333 |
15 | 6MZ C U | 0.517483 | 0.9 |
16 | U3P | 0.515152 | 0.851351 |
17 | UA3 | 0.515152 | 0.851351 |
18 | SFB | 0.507812 | 0.777778 |
19 | UCG | 0.507246 | 0.911392 |
20 | 0WD | 0.485075 | 0.923077 |
21 | 25A | 0.483051 | 0.92 |
22 | G 6MZ C U | 0.47973 | 0.8875 |
23 | U2G | 0.477273 | 0.9125 |
24 | 38V | 0.468085 | 0.843373 |
25 | ATR | 0.464912 | 0.893333 |
26 | PAX | 0.464789 | 0.901235 |
27 | A2P | 0.463636 | 0.905405 |
28 | A22 | 0.462185 | 0.907895 |
29 | 25L | 0.459677 | 0.907895 |
30 | 2AM | 0.45283 | 0.893333 |
31 | NA7 | 0.447154 | 0.860759 |
32 | ADP | 0.446429 | 0.894737 |
33 | A2D | 0.445455 | 0.894737 |
34 | AMP | 0.444444 | 0.893333 |
35 | A | 0.444444 | 0.893333 |
36 | PRX | 0.443478 | 0.825 |
37 | 7D5 | 0.443396 | 0.857143 |
38 | ADQ | 0.442623 | 0.896104 |
39 | AN2 | 0.442478 | 0.883117 |
40 | A2R | 0.441667 | 0.883117 |
41 | HQG | 0.441667 | 0.883117 |
42 | 7D3 | 0.441441 | 0.858974 |
43 | DCA | 0.439716 | 0.786517 |
44 | AGS | 0.439655 | 0.85 |
45 | BA3 | 0.4375 | 0.894737 |
46 | AV2 | 0.436975 | 0.846154 |
47 | ATP | 0.434783 | 0.894737 |
48 | HEJ | 0.434783 | 0.894737 |
49 | AP5 | 0.433628 | 0.894737 |
50 | B4P | 0.433628 | 0.894737 |
51 | 0T1 | 0.433566 | 0.786517 |
52 | ANP | 0.432203 | 0.871795 |
53 | ACQ | 0.432203 | 0.871795 |
54 | 2A5 | 0.431034 | 0.871795 |
55 | 5FA | 0.431034 | 0.894737 |
56 | AQP | 0.431034 | 0.894737 |
57 | AT4 | 0.429825 | 0.860759 |
58 | ETB | 0.429577 | 0.795455 |
59 | AD9 | 0.42735 | 0.871795 |
60 | 7D4 | 0.426087 | 0.858974 |
61 | M33 | 0.426087 | 0.858974 |
62 | CA0 | 0.426087 | 0.871795 |
63 | ADX | 0.426087 | 0.788235 |
64 | ATF | 0.425 | 0.860759 |
65 | COA | 0.423611 | 0.786517 |
66 | 5SV | 0.422764 | 0.785714 |
67 | 50T | 0.422414 | 0.858974 |
68 | ACP | 0.422414 | 0.871795 |
69 | KG4 | 0.422414 | 0.871795 |
70 | N9V | 0.420382 | 0.8 |
71 | T99 | 0.420168 | 0.860759 |
72 | TAT | 0.420168 | 0.860759 |
73 | OXK | 0.42 | 0.769231 |
74 | G3A | 0.419847 | 0.875 |
75 | 45A | 0.419643 | 0.846154 |
76 | ABM | 0.419643 | 0.846154 |
77 | PAJ | 0.419355 | 0.841463 |
78 | APR | 0.418803 | 0.87013 |
79 | APC | 0.418803 | 0.860759 |
80 | AR6 | 0.418803 | 0.87013 |
81 | 3OD | 0.417323 | 0.871795 |
82 | 8LE | 0.416667 | 0.85 |
83 | G5P | 0.416667 | 0.875 |
84 | U2P | 0.415094 | 0.84 |
85 | 30N | 0.414966 | 0.721649 |
86 | AMX | 0.414966 | 0.795455 |
87 | CAO | 0.414966 | 0.76087 |
88 | COS | 0.414966 | 0.769231 |
89 | CAJ | 0.414474 | 0.769231 |
90 | SRA | 0.414414 | 0.848101 |
91 | AMP MG | 0.414414 | 0.855263 |
92 | CSV | 0.414062 | 0.825 |
93 | CSQ | 0.414062 | 0.825 |
94 | AU1 | 0.413793 | 0.871795 |
95 | 3KK | 0.413333 | 0.769231 |
96 | FYN | 0.413333 | 0.786517 |
97 | A12 | 0.412281 | 0.860759 |
98 | AP2 | 0.412281 | 0.860759 |
99 | CMX | 0.412162 | 0.786517 |
100 | SCO | 0.412162 | 0.786517 |
101 | 1HE | 0.411765 | 0.752688 |
102 | OOB | 0.41129 | 0.907895 |
103 | YZS | 0.410596 | 0.7 |
104 | KGP | 0.410596 | 0.7 |
105 | T5A | 0.410072 | 0.86747 |
106 | SRP | 0.409836 | 0.884615 |
107 | 6YZ | 0.409836 | 0.871795 |
108 | 8LH | 0.409836 | 0.884615 |
109 | FAM | 0.409396 | 0.769231 |
110 | FCX | 0.409396 | 0.76087 |
111 | ACO | 0.409396 | 0.76087 |
112 | CPA | 0.408759 | 0.9 |
113 | A3R | 0.408 | 0.839506 |
114 | CO6 | 0.407895 | 0.769231 |
115 | 1VU | 0.407895 | 0.76087 |
116 | ATP A A A | 0.407692 | 0.881579 |
117 | ATP A | 0.407692 | 0.881579 |
118 | G G 6MZ C | 0.407143 | 0.9 |
119 | HAX | 0.406667 | 0.769231 |
120 | 1ZZ | 0.40625 | 0.8 |
121 | BIS | 0.40625 | 0.839506 |
122 | UBG | 0.40625 | 0.845238 |
123 | ADP BEF | 0.405172 | 0.868421 |
124 | ADP MG | 0.405172 | 0.868421 |
125 | 5AL | 0.404959 | 0.883117 |
126 | DLL | 0.404762 | 0.907895 |
127 | 00A | 0.404762 | 0.8625 |
128 | ODP | 0.404255 | 0.911392 |
129 | APC G U | 0.40411 | 0.839506 |
130 | QA7 | 0.403226 | 0.85 |
131 | 8LQ | 0.403226 | 0.860759 |
132 | 3HC | 0.402597 | 0.777778 |
133 | KGJ | 0.402597 | 0.721649 |
134 | IVC | 0.402597 | 0.777778 |
135 | BCO | 0.402597 | 0.769231 |
136 | OVE | 0.401786 | 0.858974 |
137 | UDP | 0.401786 | 0.828947 |
138 | 660 | 0.401639 | 0.820513 |
139 | GDU | 0.401639 | 0.831169 |
140 | UFM | 0.401639 | 0.831169 |
141 | URM | 0.401639 | 0.820513 |
142 | UPG | 0.401639 | 0.831169 |
143 | UTP U U U | 0.401639 | 0.813333 |
144 | ADP BMA | 0.401575 | 0.871795 |
145 | 9X8 | 0.401575 | 0.82716 |
146 | 4UV | 0.401515 | 0.897436 |
147 | MCD | 0.401316 | 0.769231 |
148 | SOP | 0.401316 | 0.769231 |
149 | COK | 0.401316 | 0.769231 |
150 | CA6 | 0.401316 | 0.7 |
151 | NPW | 0.4 | 0.888889 |
152 | MCA | 0.4 | 0.76087 |
153 | NDP | 0.4 | 0.923077 |
154 | 9SN | 0.4 | 0.851852 |
155 | OZV | 0.4 | 0.87013 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1tox.bio3) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1tox.bio3) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1tox.bio1) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1tox.bio1) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1tox.bio2) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 3.2491 |
2 | 1XK9 | P34 | 26.0465 |