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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 4 families. | |||||
1 | 1HOO | - | GNP | C10 H17 N6 O13 P3 | c1nc2c(n1[.... |
2 | 1NHT | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
3 | 1GIM | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
4 | 1CIB | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
5 | 1QF4 | ic50 = 0.665 uM | RPD | C13 H22 N3 O13 P | C(C[C@H](C.... |
6 | 1CH8 | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
7 | 1CG0 | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
8 | 1CG1 | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
9 | 2GCQ | Ki = 17 uM | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
10 | 1HON | - | GNH | C10 H16 N6 O10 P2 | c1nc2c(n1[.... |
11 | 1CG4 | - | IMO | C10 H14 N4 O11 P2 | c1nc2c(c(n.... |
12 | 1CG3 | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
13 | 1QF5 | ic50 = 0.043 uM | RPL | C13 H22 N3 O13 P | C(C[C@@H](.... |
14 | 1HOP | - | GCP | C11 H18 N5 O13 P3 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1HOO | - | GNP | C10 H17 N6 O13 P3 | c1nc2c(n1[.... |
2 | 1NHT | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
3 | 1GIM | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
4 | 1CIB | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
5 | 1QF4 | ic50 = 0.665 uM | RPD | C13 H22 N3 O13 P | C(C[C@H](C.... |
6 | 1CH8 | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
7 | 1CG0 | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
8 | 1CG1 | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
9 | 2GCQ | Ki = 17 uM | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
10 | 1HON | - | GNH | C10 H16 N6 O10 P2 | c1nc2c(n1[.... |
11 | 1CG4 | - | IMO | C10 H14 N4 O11 P2 | c1nc2c(c(n.... |
12 | 1CG3 | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
13 | 1QF5 | ic50 = 0.043 uM | RPL | C13 H22 N3 O13 P | C(C[C@@H](.... |
14 | 1HOP | - | GCP | C11 H18 N5 O13 P3 | c1nc2c(n1[.... |
15 | 5I34 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
16 | 1P9B | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
17 | 1IWE | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
18 | 1LON | - | HDA | C3 H5 N O4 | C(C(=O)O)N.... |
19 | 1MF0 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
20 | 2DGN | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
21 | 1LOO | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
22 | 1MEZ | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
23 | 1LNY | - | IMO | C10 H14 N4 O11 P2 | c1nc2c(c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GDP | 1 | 1 |
2 | GTP | 0.909091 | 1 |
3 | GP3 | 0.881579 | 0.973684 |
4 | GNH | 0.858974 | 0.986667 |
5 | GNP | 0.839506 | 0.973684 |
6 | 9GM | 0.839506 | 0.973684 |
7 | G | 0.828947 | 0.986486 |
8 | 5GP | 0.828947 | 0.986486 |
9 | G1R | 0.82716 | 0.986667 |
10 | GCP | 0.82716 | 0.973684 |
11 | GSP | 0.817073 | 0.948718 |
12 | GAV | 0.797619 | 0.961039 |
13 | GMV | 0.792683 | 0.973684 |
14 | G2P | 0.77381 | 0.961039 |
15 | G2R | 0.770115 | 0.961039 |
16 | GP2 | 0.756098 | 0.961039 |
17 | GKE | 0.747253 | 0.961039 |
18 | GDD | 0.747253 | 0.961039 |
19 | GDC | 0.747253 | 0.961039 |
20 | GPG | 0.741573 | 0.961039 |
21 | G3D | 0.732558 | 0.986486 |
22 | ALF 5GP | 0.729412 | 0.888889 |
23 | Y9Z | 0.728261 | 0.902439 |
24 | G5P | 0.723404 | 0.973684 |
25 | GDR | 0.72043 | 0.961039 |
26 | GFB | 0.72043 | 0.961039 |
27 | GTG | 0.72043 | 0.936709 |
28 | G4P | 0.715909 | 0.986486 |
29 | 6CK | 0.712766 | 0.936709 |
30 | G3A | 0.712766 | 0.973684 |
31 | GDP AF3 | 0.7 | 0.888889 |
32 | GDP ALF | 0.7 | 0.888889 |
33 | ALF GDP | 0.7 | 0.888889 |
34 | YGP | 0.698925 | 0.901235 |
35 | JB2 | 0.697917 | 0.961039 |
36 | GKD | 0.697917 | 0.961039 |
37 | GPD | 0.690722 | 0.925 |
38 | GDX | 0.690722 | 0.973684 |
39 | GMP | 0.684211 | 0.88 |
40 | 0O2 | 0.666667 | 0.986486 |
41 | JB3 | 0.656863 | 0.948718 |
42 | NGD | 0.650485 | 0.961039 |
43 | GDP 7MG | 0.636364 | 0.911392 |
44 | DGI | 0.636364 | 0.923077 |
45 | U2G | 0.634615 | 0.936709 |
46 | GPX | 0.634409 | 0.946667 |
47 | G G | 0.632653 | 0.948052 |
48 | IDP | 0.632184 | 0.972973 |
49 | 2MD | 0.632075 | 0.891566 |
50 | CAG | 0.62963 | 0.880952 |
51 | KB7 | 0.629214 | 0.82716 |
52 | CG2 | 0.622642 | 0.936709 |
53 | FEG | 0.619048 | 0.879518 |
54 | MGD | 0.614679 | 0.891566 |
55 | ZGP | 0.613208 | 0.869048 |
56 | GH3 | 0.612903 | 0.973333 |
57 | 3GP | 0.611765 | 0.946667 |
58 | MD1 | 0.607143 | 0.891566 |
59 | PGD | 0.59292 | 0.925 |
60 | DGT | 0.591398 | 0.923077 |
61 | BGO | 0.588785 | 0.924051 |
62 | TPG | 0.582609 | 0.840909 |
63 | DBG | 0.582609 | 0.948718 |
64 | KBD | 0.581633 | 0.82716 |
65 | 2GP | 0.574713 | 0.96 |
66 | FE9 | 0.570175 | 0.776596 |
67 | GCP G | 0.56 | 0.921053 |
68 | KBJ | 0.558824 | 0.797619 |
69 | G A A A | 0.553571 | 0.923077 |
70 | A G | 0.553571 | 0.935065 |
71 | MGP | 0.553191 | 0.961039 |
72 | U A G G | 0.548673 | 0.935065 |
73 | G4M | 0.548387 | 0.880952 |
74 | 6G0 | 0.547368 | 0.961039 |
75 | G1R G1R | 0.542373 | 0.924051 |
76 | P2G | 0.527473 | 0.883117 |
77 | PGD O | 0.525 | 0.850575 |
78 | ADP | 0.522222 | 0.92 |
79 | R5I | 0.520833 | 0.946667 |
80 | R7I | 0.520833 | 0.946667 |
81 | GGM | 0.517544 | 0.901235 |
82 | DGP | 0.516484 | 0.910256 |
83 | DG | 0.516484 | 0.910256 |
84 | P1G | 0.516129 | 0.871795 |
85 | G U | 0.513274 | 0.9 |
86 | G1G | 0.508475 | 0.925 |
87 | IMP | 0.505495 | 0.959459 |
88 | AKW | 0.504425 | 0.890244 |
89 | G C | 0.504348 | 0.9 |
90 | GPC | 0.491525 | 0.879518 |
91 | G7M | 0.483871 | 0.948052 |
92 | 6AD | 0.479592 | 0.841463 |
93 | ATP | 0.473684 | 0.92 |
94 | HEJ | 0.473684 | 0.92 |
95 | G2Q | 0.471154 | 0.961039 |
96 | AQP | 0.46875 | 0.92 |
97 | 5FA | 0.46875 | 0.92 |
98 | GTA | 0.468468 | 0.936709 |
99 | 7DD | 0.468085 | 0.906667 |
100 | G G G RPC | 0.466102 | 0.875 |
101 | SGP | 0.463158 | 0.82716 |
102 | 01G | 0.462963 | 0.902439 |
103 | JSQ | 0.459184 | 0.873418 |
104 | HFD | 0.459184 | 0.873418 |
105 | AP5 | 0.457447 | 0.894737 |
106 | B4P | 0.457447 | 0.894737 |
107 | A2D | 0.456522 | 0.894737 |
108 | 6YZ | 0.455446 | 0.896104 |
109 | G G G C | 0.455285 | 0.9125 |
110 | ANP | 0.454545 | 0.896104 |
111 | 5GP 5GP | 0.454545 | 0.883117 |
112 | ACQ | 0.454545 | 0.896104 |
113 | AT4 | 0.452632 | 0.884615 |
114 | A G C C | 0.451613 | 0.911392 |
115 | APC G U | 0.45082 | 0.886076 |
116 | PRT | 0.449541 | 0.959459 |
117 | G U34 | 0.449153 | 0.888889 |
118 | DG DG | 0.448598 | 0.865854 |
119 | ITT | 0.447917 | 0.868421 |
120 | BA3 | 0.446809 | 0.894737 |
121 | 35G | 0.444444 | 0.933333 |
122 | PCG | 0.444444 | 0.933333 |
123 | C2E | 0.444444 | 0.921053 |
124 | MGO | 0.441176 | 0.864198 |
125 | AN2 | 0.4375 | 0.907895 |
126 | G C C C | 0.4375 | 0.924051 |
127 | NO7 | 0.436893 | 0.860759 |
128 | M33 | 0.43299 | 0.883117 |
129 | UCG | 0.429688 | 0.911392 |
130 | A G U | 0.42963 | 0.888889 |
131 | ACP | 0.428571 | 0.896104 |
132 | MGQ | 0.424528 | 0.935897 |
133 | 7DT | 0.424242 | 0.906667 |
134 | APR | 0.424242 | 0.894737 |
135 | AR6 | 0.424242 | 0.894737 |
136 | 93A | 0.42268 | 0.833333 |
137 | A4P | 0.420168 | 0.869048 |
138 | AGS | 0.42 | 0.873418 |
139 | AD9 | 0.42 | 0.896104 |
140 | G8D | 0.42 | 0.875 |
141 | SAP | 0.42 | 0.873418 |
142 | CA0 | 0.418367 | 0.896104 |
143 | ATF | 0.417476 | 0.884615 |
144 | AGO | 0.414634 | 0.888889 |
145 | A G U U | 0.414286 | 0.888889 |
146 | KG4 | 0.414141 | 0.896104 |
147 | NIA | 0.413043 | 0.82716 |
148 | MGV | 0.412844 | 0.890244 |
149 | T99 | 0.411765 | 0.884615 |
150 | TAT | 0.411765 | 0.884615 |
151 | A1R | 0.411215 | 0.839506 |
152 | ADQ | 0.411215 | 0.871795 |
153 | RGT | 0.410714 | 0.909091 |
154 | CGP | 0.409836 | 0.86747 |
155 | HQG | 0.409524 | 0.907895 |
156 | C1Z | 0.409091 | 0.986486 |
157 | AMP | 0.408602 | 0.893333 |
158 | A | 0.408602 | 0.893333 |
159 | UP5 | 0.40678 | 0.873418 |
160 | C2R | 0.406593 | 0.906667 |
161 | AMZ | 0.406593 | 0.918919 |
162 | JBT | 0.405882 | 0.778947 |
163 | A22 | 0.40566 | 0.907895 |
164 | 25L | 0.405405 | 0.907895 |
165 | ADX | 0.40404 | 0.809524 |
166 | 8OD | 0.401961 | 0.946667 |
167 | 4TC | 0.4 | 0.851852 |
168 | 50T | 0.4 | 0.883117 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HDA | 1 | 1 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PGS | 1 | 1 |
2 | AMP | 0.575 | 0.857143 |
3 | A | 0.575 | 0.857143 |
4 | IMO | 0.554217 | 0.868421 |
5 | 6MZ | 0.547619 | 0.846154 |
6 | 71V | 0.523256 | 0.923077 |
7 | 6IA | 0.51087 | 0.767442 |
8 | 2SA | 0.5 | 0.85 |
9 | 6C6 | 0.5 | 0.804878 |
10 | ADX | 0.488889 | 0.821429 |
11 | 7RP | 0.488372 | 0.866667 |
12 | ADP | 0.483146 | 0.883117 |
13 | 7RA | 0.482759 | 0.846154 |
14 | A2D | 0.482759 | 0.858974 |
15 | 45A | 0.482759 | 0.8125 |
16 | RMB | 0.482759 | 0.815789 |
17 | ABM | 0.482759 | 0.8125 |
18 | P2P | 0.482759 | 0.844156 |
19 | 25A | 0.479592 | 0.858974 |
20 | SRA | 0.476744 | 0.884615 |
21 | AIR | 0.475 | 0.794872 |
22 | ITT | 0.472527 | 0.881579 |
23 | M33 | 0.472527 | 0.848101 |
24 | BA3 | 0.47191 | 0.858974 |
25 | A12 | 0.47191 | 0.85 |
26 | AP2 | 0.47191 | 0.85 |
27 | PMO | 0.47191 | 0.794872 |
28 | N6P | 0.47 | 0.855263 |
29 | HEJ | 0.467391 | 0.883117 |
30 | ATP | 0.467391 | 0.883117 |
31 | B4P | 0.466667 | 0.858974 |
32 | AP5 | 0.466667 | 0.858974 |
33 | 1RB | 0.465116 | 0.826667 |
34 | 6K6 | 0.464646 | 0.846154 |
35 | C2R | 0.464286 | 0.8 |
36 | AMZ | 0.464286 | 0.810127 |
37 | 5FA | 0.462366 | 0.883117 |
38 | APC | 0.462366 | 0.85 |
39 | AQP | 0.462366 | 0.883117 |
40 | AN2 | 0.461538 | 0.871795 |
41 | AT4 | 0.461538 | 0.922078 |
42 | RBZ | 0.45977 | 0.794872 |
43 | NO7 | 0.459184 | 0.85 |
44 | CA0 | 0.456522 | 0.8375 |
45 | AU1 | 0.456522 | 0.860759 |
46 | NIA | 0.453488 | 0.752941 |
47 | ACP | 0.451613 | 0.860759 |
48 | 50T | 0.451613 | 0.848101 |
49 | KG4 | 0.451613 | 0.8375 |
50 | 8LH | 0.44898 | 0.804878 |
51 | ACQ | 0.447917 | 0.860759 |
52 | T99 | 0.447917 | 0.922078 |
53 | TAT | 0.447917 | 0.922078 |
54 | PRX | 0.446809 | 0.792683 |
55 | AR6 | 0.446809 | 0.858974 |
56 | APR | 0.446809 | 0.858974 |
57 | ADP MG | 0.445652 | 0.857143 |
58 | HQG | 0.444444 | 0.871795 |
59 | 5AL | 0.443299 | 0.825 |
60 | AD9 | 0.442105 | 0.860759 |
61 | AGS | 0.442105 | 0.910256 |
62 | RBY | 0.442105 | 0.82716 |
63 | ADV | 0.442105 | 0.82716 |
64 | SAP | 0.442105 | 0.910256 |
65 | A22 | 0.44 | 0.871795 |
66 | 8QN | 0.435644 | 0.825 |
67 | SRP | 0.434343 | 0.804878 |
68 | 6YZ | 0.434343 | 0.860759 |
69 | FAI | 0.433333 | 0.810127 |
70 | JLN | 0.433333 | 0.810127 |
71 | AAM | 0.433333 | 0.857143 |
72 | ANP | 0.43299 | 0.860759 |
73 | ADQ | 0.431373 | 0.8375 |
74 | PTJ | 0.428571 | 0.797619 |
75 | 8LE | 0.428571 | 0.795181 |
76 | ATP MG | 0.427083 | 0.857143 |
77 | ADP PO3 | 0.427083 | 0.857143 |
78 | APC MG | 0.427083 | 0.835443 |
79 | 8LQ | 0.425743 | 0.804878 |
80 | G | 0.425532 | 0.804878 |
81 | 5GP | 0.425532 | 0.804878 |
82 | ATF | 0.424242 | 0.85 |
83 | ADP ALF | 0.424242 | 0.795181 |
84 | ALF ADP | 0.424242 | 0.795181 |
85 | OOB | 0.421569 | 0.825 |
86 | 9ZD | 0.421569 | 0.807229 |
87 | 9ZA | 0.421569 | 0.807229 |
88 | 5SV | 0.421569 | 0.755814 |
89 | IMP | 0.419355 | 0.825 |
90 | GAP | 0.418367 | 0.814815 |
91 | 4AD | 0.417476 | 0.839506 |
92 | AMO | 0.417476 | 0.82716 |
93 | PAJ | 0.417476 | 0.788235 |
94 | A3R | 0.417476 | 0.807229 |
95 | ME8 | 0.415094 | 0.770115 |
96 | SON | 0.414894 | 0.82716 |
97 | 93A | 0.414894 | 0.802326 |
98 | 6AD | 0.414141 | 0.924051 |
99 | AHX | 0.413462 | 0.797619 |
100 | 00A | 0.413462 | 0.785714 |
101 | MAP | 0.411765 | 0.839506 |
102 | DAL AMP | 0.411765 | 0.825 |
103 | 25L | 0.411215 | 0.871795 |
104 | ADP BMA | 0.409524 | 0.8375 |
105 | 3UK | 0.409524 | 0.814815 |
106 | A2P | 0.408602 | 0.844156 |
107 | HFD | 0.408163 | 0.839506 |
108 | JSQ | 0.408163 | 0.839506 |
109 | OZV | 0.407767 | 0.858974 |
110 | DTA | 0.406977 | 0.7375 |
111 | AOC | 0.406593 | 0.725 |
112 | VO4 ADP | 0.405941 | 0.848101 |
113 | ADP VO4 | 0.405941 | 0.848101 |
114 | LAD | 0.40566 | 0.767442 |
115 | A1R | 0.403846 | 0.807229 |
116 | RGT | 0.40367 | 0.85 |
117 | 1ZZ | 0.401869 | 0.75 |
118 | TXA | 0.401869 | 0.82716 |
119 | NB8 | 0.401869 | 0.797619 |
120 | FYA | 0.401869 | 0.802469 |
121 | LMS | 0.4 | 0.77907 |
122 | DLL | 0.4 | 0.825 |
123 | ARU | 0.4 | 0.788235 |
This union binding pocket(no: 1) in the query (biounit: 1qf5.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1qf5.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1qf5.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1qf5.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |