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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 32 families. | |||||
1 | 5OA2 | Kd = 9.8 uM | 9PW | C28 H41 N4 O18 | c1cc(ccc1C.... |
2 | 5O9Q | Kd = 6.2 uM | 9PH | C28 H41 N3 O16 | c1ccc(cc1).... |
3 | 5O9Y | Kd = 4.6 uM | 9PN | C28 H43 N4 O15 | c1cc[n+](c.... |
4 | 5O9O | Kd = 13 uM | 9PB | C32 H43 N3 O16 | c1ccc2cc(c.... |
5 | 2W63 | - | BGC BGC BGC BGC | n/a | n/a |
6 | 5OA6 | Kd = 3.1 uM | 9PT | C32 H45 N4 O15 | c1ccc2c(c1.... |
7 | 5O9R | Kd = 4.09 uM | 9PK | C26 H39 N3 O16 S | c1cc(sc1)C.... |
8 | 2W62 | - | BGC BGC BGC BGC BGC | n/a | n/a |
9 | 5O9P | Kd = 8.06 uM | 9P8 | C27 H40 N4 O16 | c1ccnc(c1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 22 families. | |||||
1 | 5OA2 | Kd = 9.8 uM | 9PW | C28 H41 N4 O18 | c1cc(ccc1C.... |
2 | 5O9Q | Kd = 6.2 uM | 9PH | C28 H41 N3 O16 | c1ccc(cc1).... |
3 | 5O9Y | Kd = 4.6 uM | 9PN | C28 H43 N4 O15 | c1cc[n+](c.... |
4 | 5O9O | Kd = 13 uM | 9PB | C32 H43 N3 O16 | c1ccc2cc(c.... |
5 | 2W63 | - | BGC BGC BGC BGC | n/a | n/a |
6 | 5OA6 | Kd = 3.1 uM | 9PT | C32 H45 N4 O15 | c1ccc2c(c1.... |
7 | 5O9R | Kd = 4.09 uM | 9PK | C26 H39 N3 O16 S | c1cc(sc1)C.... |
8 | 2W62 | - | BGC BGC BGC BGC BGC | n/a | n/a |
9 | 5O9P | Kd = 8.06 uM | 9P8 | C27 H40 N4 O16 | c1ccnc(c1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC BGC BGC BGC | 1 | 1 |
2 | BGC BGC BGC BGC BGC BGC | 1 | 1 |
3 | BGC BGC BGC BGC BGC BGC BGC | 1 | 1 |
4 | BGC BGC BGC BGC BGC | 1 | 1 |
5 | BGC BGC BGC | 1 | 1 |
6 | GAL GLA | 0.888889 | 1 |
7 | BGC BGC BGC BGC | 0.762712 | 1 |
8 | MAN MAN M6P | 0.716667 | 0.785714 |
9 | BGC GAL GLA | 0.709091 | 1 |
10 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.689655 | 1 |
11 | GAL NAG GAL NAG GAL | 0.647059 | 0.6875 |
12 | MBG GAL | 0.641509 | 0.942857 |
13 | BMA MAN MAN | 0.627119 | 1 |
14 | MAN MAN MAN GLC | 0.622951 | 1 |
15 | GAL SO4 GAL | 0.606557 | 0.66 |
16 | BQZ | 0.58 | 0.909091 |
17 | NAG GAL GAL | 0.575758 | 0.733333 |
18 | GAL NAG GAL | 0.573529 | 0.733333 |
19 | GCU BGC | 0.55 | 0.914286 |
20 | MAN MAN MAN | 0.536232 | 0.970588 |
21 | MAN BMA BMA BMA BMA BMA BMA | 0.534483 | 1 |
22 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.534483 | 1 |
23 | GLC GLC GLC GLC BGC GLC GLC | 0.534483 | 1 |
24 | AHR FUB | 0.529412 | 0.857143 |
25 | BMA MAN NAG | 0.521127 | 0.733333 |
26 | BGC GAL NAG GAL | 0.520548 | 0.733333 |
27 | GAL NAG FUC GAL | 0.513158 | 0.717391 |
28 | BGC GAL GLA NGA GAL | 0.513158 | 0.733333 |
29 | FUC GAL | 0.508475 | 0.941176 |
30 | BGC GLA GAL | 0.5 | 1 |
31 | GAL AAL GAL AAL GAL AAL | 0.493333 | 0.891892 |
32 | NAG GAL NAG GAL NAG GAL | 0.493333 | 0.673469 |
33 | NAG GAL NAG GAL | 0.493333 | 0.6875 |
34 | GAL AAL GAL AAL | 0.493333 | 0.891892 |
35 | GAL NGA A2G | 0.485714 | 0.6875 |
36 | BGC FUC GAL | 0.484848 | 0.970588 |
37 | GLC BGC FUC GAL | 0.484848 | 0.970588 |
38 | MMA MAN MAN | 0.484848 | 0.942857 |
39 | MAN BMA BMA | 0.484375 | 0.942857 |
40 | A2G GAL | 0.484375 | 0.733333 |
41 | BGC GAL GLA NGA | 0.480519 | 0.733333 |
42 | MGL GAL | 0.474576 | 0.942857 |
43 | MBG GLA | 0.473684 | 0.942857 |
44 | BGC GAL NAG | 0.472973 | 0.733333 |
45 | BGC FUC GAL NAG GAL | 0.470588 | 0.717391 |
46 | GAL FUC GAL | 0.469697 | 0.970588 |
47 | 47N | 0.46875 | 0.891892 |
48 | GAL AAL | 0.46875 | 0.891892 |
49 | MAN MAN MAN MAN MAN MAN MAN | 0.467532 | 1 |
50 | RR7 GLC | 0.466667 | 0.942857 |
51 | NAG NAG BMA MAN | 0.463415 | 0.634615 |
52 | G2F SHG BGC BGC | 0.461538 | 0.891892 |
53 | NOY BGC | 0.460317 | 0.702128 |
54 | MAN MAN | 0.457627 | 0.941176 |
55 | GLA NAG GAL FUC | 0.455696 | 0.717391 |
56 | RAM MAN GLA ABE RAM MAN GLA ABE | 0.454545 | 0.868421 |
57 | MAN MAN MAN MAN MAN MAN MAN MAN | 0.452381 | 0.846154 |
58 | OPM MAN MAN | 0.452055 | 0.804878 |
59 | 5QP | 0.451613 | 0.885714 |
60 | BGC FUC GAL NAG | 0.451219 | 0.717391 |
61 | RZM | 0.45 | 0.688889 |
62 | BGC OXZ | 0.444444 | 0.666667 |
63 | IFM BGC | 0.444444 | 0.711111 |
64 | MAN GLA ABE | 0.444444 | 0.916667 |
65 | 9MR | 0.444444 | 0.744186 |
66 | GLC EDO GLC | 0.444444 | 0.942857 |
67 | 7D1 MAN | 0.442623 | 0.888889 |
68 | G2F BGC BGC BGC BGC BGC | 0.441176 | 0.868421 |
69 | MAN MAN BMA | 0.441176 | 0.942857 |
70 | MGC GAL | 0.439394 | 0.702128 |
71 | NAG GAL | 0.439394 | 0.733333 |
72 | NOJ GLC | 0.4375 | 0.695652 |
73 | GLC DMJ | 0.4375 | 0.695652 |
74 | MAN MNM | 0.4375 | 0.702128 |
75 | NAG GAL NAG | 0.434211 | 0.6875 |
76 | BGC GAL NGA GAL | 0.434211 | 0.733333 |
77 | BGC XGP | 0.430769 | 0.785714 |
78 | CJX | 0.430769 | 0.717391 |
79 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.430556 | 1 |
80 | BMA BMA BMA BMA GLA | 0.430556 | 1 |
81 | FRU BMA | 0.428571 | 0.842105 |
82 | MAN IPD MAN | 0.428571 | 0.785714 |
83 | RAM MAN GLA ABE RAM MAN GLA | 0.425532 | 0.868421 |
84 | BGC ZZ1 BGC | 0.425 | 0.767442 |
85 | GDQ GLC | 0.424242 | 0.666667 |
86 | MAN G63 | 0.424242 | 0.653061 |
87 | IPD MAN | 0.421875 | 0.738095 |
88 | BGC GAL FUC GLA | 0.421053 | 0.970588 |
89 | NAG BMA | 0.42029 | 0.653061 |
90 | BGC GLC GLC | 0.42029 | 1 |
91 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.418605 | 0.6875 |
92 | NAG BMA MAN MAN MAN MAN | 0.418605 | 0.733333 |
93 | BGC 5VQ GAL GLA | 0.41791 | 0.891892 |
94 | GLC GAL NAG GAL FUC GLA | 0.417582 | 0.717391 |
95 | GAL NAG GAL FUC FUC | 0.416667 | 0.702128 |
96 | BGC GLC GLC GLC | 0.416667 | 1 |
97 | GLC GLC GLC GLC GLC | 0.416667 | 1 |
98 | NAG BMA MAN MAN MAN MAN MAN | 0.4125 | 0.868421 |
99 | GLC BGC BGC | 0.410959 | 0.942857 |
100 | BMA MAN MAN MAN MAN | 0.410256 | 0.942857 |
101 | ABL | 0.409091 | 0.702128 |
102 | BGC GAL NAG GAL FUC | 0.409091 | 0.717391 |
103 | G3I | 0.408451 | 0.767442 |
104 | G2I | 0.408451 | 0.767442 |
105 | BGC OXZ BGC | 0.408451 | 0.6875 |
106 | GLC | 0.408163 | 0.848485 |
107 | GLA | 0.408163 | 0.848485 |
108 | BGC | 0.408163 | 0.848485 |
109 | MAN | 0.408163 | 0.848485 |
110 | BMA | 0.408163 | 0.848485 |
111 | GAL | 0.408163 | 0.848485 |
112 | ALL | 0.408163 | 0.848485 |
113 | GXL | 0.408163 | 0.848485 |
114 | GLC GLC | 0.408163 | 0.848485 |
115 | BGC GAL | 0.408163 | 0.848485 |
116 | GIV | 0.408163 | 0.848485 |
117 | GAL GAL | 0.408163 | 0.848485 |
118 | WOO | 0.408163 | 0.848485 |
119 | BGC BGC XYS GAL | 0.407895 | 0.942857 |
120 | GLC U8V | 0.40625 | 0.916667 |
121 | DGO MAN | 0.40625 | 0.914286 |
122 | MMA GLA ABE | 0.405405 | 0.868421 |
123 | BGC BGC BGC XYS BGC XYS | 0.405063 | 0.942857 |
124 | MAN BMA MAN MAN MAN MAN MAN | 0.404762 | 0.942857 |
125 | BGC GAL NAG NAG GAL GAL | 0.404494 | 0.6875 |
126 | NAG NAG MAN MAN MAN | 0.404494 | 0.6875 |
127 | 3MG | 0.403846 | 0.857143 |
128 | ZB1 | 0.403846 | 0.857143 |
129 | GPM GLC | 0.402985 | 0.767442 |
130 | GLC GLC GLC | 0.402778 | 0.942857 |
131 | SOR GLC GLC | 0.402778 | 0.970588 |
132 | GLC NBU GAL GLA | 0.4 | 0.846154 |
133 | 2M8 | 0.4 | 0.911765 |
134 | ISX | 0.4 | 0.761905 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BGC BGC BGC BGC | 1 | 1 |
2 | BMA MAN MAN | 0.774194 | 1 |
3 | BGC BGC BGC BGC BGC BGC | 0.762712 | 1 |
4 | GLC BGC BGC BGC | 0.762712 | 1 |
5 | BGC BGC BGC | 0.762712 | 1 |
6 | BGC BGC BGC BGC BGC BGC BGC | 0.762712 | 1 |
7 | BGC BGC BGC BGC BGC | 0.762712 | 1 |
8 | GAL GLA | 0.677966 | 1 |
9 | MAN MAN M6P | 0.671429 | 0.785714 |
10 | BGC GLC GLC | 0.623188 | 1 |
11 | MMA MAN MAN | 0.623188 | 0.942857 |
12 | MAN MAN MAN | 0.621622 | 0.970588 |
13 | GLC GLC GLC GLC GLC | 0.611111 | 1 |
14 | BGC GLC GLC GLC | 0.611111 | 1 |
15 | MAN MAN MAN MAN MAN MAN MAN | 0.607595 | 1 |
16 | GLC GLC GLC | 0.597222 | 0.942857 |
17 | BGC GLC GLC GLC GLC GLC | 0.59375 | 1 |
18 | BGC GLC GLC GLC GLC | 0.59375 | 1 |
19 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.581395 | 0.6875 |
20 | BGC GAL GLA | 0.565217 | 1 |
21 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.555556 | 1 |
22 | GAL SO4 GAL | 0.555556 | 0.66 |
23 | GAL NAG GAL NAG GAL | 0.536585 | 0.6875 |
24 | MAN MAN BMA | 0.534247 | 0.942857 |
25 | BMA MAN MAN MAN MAN | 0.530864 | 0.942857 |
26 | NAG NAG MAN MAN MAN | 0.527473 | 0.6875 |
27 | BMA NGT MAN MAN | 0.522727 | 0.66 |
28 | BMA BMA BMA BMA GLA | 0.519481 | 1 |
29 | BMA MAN MAN MAN | 0.518987 | 0.916667 |
30 | AHR AHR AHR AHR AHR AHR | 0.507692 | 0.857143 |
31 | AHR AHR AHR AHR | 0.507692 | 0.857143 |
32 | AHR AHR AHR AHR AHR | 0.507692 | 0.857143 |
33 | MMA MAN | 0.507463 | 0.942857 |
34 | MBG GAL | 0.507463 | 0.942857 |
35 | MAN MAN MAN GLC | 0.506667 | 1 |
36 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.494737 | 0.733333 |
37 | NAG BMA MAN MAN MAN MAN | 0.494505 | 0.733333 |
38 | H1M MAN MAN | 0.493671 | 0.868421 |
39 | AHR AHR | 0.484375 | 0.857143 |
40 | MAN BMA MAN MAN MAN MAN MAN | 0.483146 | 0.942857 |
41 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.481013 | 1 |
42 | NAG BMA MAN MAN MAN MAN MAN | 0.476744 | 0.868421 |
43 | GAL NAG GAL | 0.47561 | 0.733333 |
44 | NAG GAL GAL | 0.475 | 0.733333 |
45 | NDG BMA MAN MAN NAG MAN MAN | 0.466019 | 0.6875 |
46 | BQZ | 0.453125 | 0.909091 |
47 | BGC BGC BGC XYS XYS GAL GAL | 0.450549 | 0.942857 |
48 | GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ | 0.45 | 0.6 |
49 | BGC GAL NAG NAG GAL GAL | 0.447917 | 0.6875 |
50 | BGC BGC BGC XYS | 0.447059 | 0.942857 |
51 | MAN MAN MAN MAN MAN MAN MAN MAN | 0.446809 | 0.846154 |
52 | GCU BGC | 0.445946 | 0.914286 |
53 | NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN | 0.444444 | 0.733333 |
54 | BGC GAL NAG GAL | 0.436782 | 0.733333 |
55 | BMA MAN NAG | 0.435294 | 0.733333 |
56 | NAG NAG BMA MAN MAN MAN MAN | 0.435185 | 0.634615 |
57 | BGC BGC XYS XYS GAL | 0.434783 | 0.942857 |
58 | KDO MAN MAN MAN MAN MAN | 0.433962 | 0.868421 |
59 | GAL NAG FUC GAL | 0.433333 | 0.717391 |
60 | BGC GAL GLA NGA GAL | 0.433333 | 0.733333 |
61 | BGC BGC BGC XYS BGC XYS XYS | 0.431818 | 0.942857 |
62 | BGC BGC XYS BGC XYS XYS GAL | 0.431579 | 0.942857 |
63 | MAN BMA BMA BMA BMA BMA BMA | 0.430556 | 1 |
64 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.430556 | 1 |
65 | GLC GLC GLC GLC BGC GLC GLC | 0.430556 | 1 |
66 | BGC BGC GLC BGC XYS BGC XYS XYS | 0.430233 | 0.916667 |
67 | OPM MAN MAN | 0.428571 | 0.804878 |
68 | BGC BGC BGC XYS XYS GAL | 0.425532 | 0.916667 |
69 | NAG GAL BGC GAL | 0.425287 | 0.733333 |
70 | YZ0 MAN MAN NAG MAN | 0.42268 | 0.702128 |
71 | BGC BGC BGC XYS BGC XYS XYS GAL GAL | 0.42268 | 0.942857 |
72 | BGC BGC BGC XYS BGC XYS XYS GAL | 0.42268 | 0.942857 |
73 | GAL NGA A2G | 0.421687 | 0.6875 |
74 | NDG GLA GLC NAG GLC RAM | 0.420561 | 0.673469 |
75 | BGC BGC BGC XYS BGC XYS | 0.420455 | 0.942857 |
76 | FRU GLC GLA | 0.419753 | 0.891892 |
77 | NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.416667 | 0.6875 |
78 | MAN AML MAN MAN MAN MAN MAN MAN MAN | 0.416667 | 0.825 |
79 | GAL AAL GAL AAL | 0.41573 | 0.891892 |
80 | NAG GAL NAG GAL | 0.41573 | 0.6875 |
81 | GAL AAL GAL AAL GAL AAL | 0.41573 | 0.891892 |
82 | NAG GAL NAG GAL NAG GAL | 0.41573 | 0.673469 |
83 | AHR FUB | 0.415385 | 0.857143 |
84 | GLC FRU GLA GLA | 0.414634 | 0.891892 |
85 | GLC FRU GLA GLA GLA | 0.414634 | 0.891892 |
86 | GLC GLC XYS XYS | 0.414634 | 0.914286 |
87 | Z9N GLC | 0.413333 | 0.842105 |
88 | BMA MAN MAN NAG GAL NAG | 0.411765 | 0.6875 |
89 | BGC BGC BGC XYS BGC XYS BGC XYS BGC | 0.411111 | 0.942857 |
90 | BGC BGC BGC BGC XYS BGC XYS BGC BGC | 0.411111 | 0.942857 |
91 | BGC BGC BGC BGC BGC XYS | 0.411111 | 0.942857 |
92 | FUC GAL | 0.410959 | 0.941176 |
93 | C4W NAG FUC BMA MAN | 0.409524 | 0.634615 |
94 | NAG BMA MAN MAN NAG GAL NAG GAL | 0.407767 | 0.673469 |
95 | BGC BGC XYS GAL | 0.406977 | 0.942857 |
96 | BGC GAL GLA NGA | 0.406593 | 0.733333 |
97 | BMA BMA BMA BMA GLA BMA GLA | 0.406593 | 0.916667 |
98 | NDG GLA NAG GLC RAM | 0.40566 | 0.673469 |
99 | NDG NAG GLA NAG GLC RAM | 0.40566 | 0.673469 |
100 | GLC U8V | 0.405405 | 0.916667 |
101 | A2G GAL NAG | 0.404494 | 0.6875 |
102 | BGC FUC GAL NAG GAL | 0.40404 | 0.717391 |
103 | GLC BGC FUC GAL | 0.4 | 0.970588 |
104 | NAG NAG FUL BMA MAN MAN NAG GAL | 0.4 | 0.622642 |
105 | GLC EDO GLC | 0.4 | 0.942857 |
106 | BGC GLA GAL | 0.4 | 1 |
107 | NGB | 0.4 | 0.622642 |
108 | BGC FUC GAL | 0.4 | 0.970588 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GCS GCS GCS | 0.9773 |
2 | GLC SHD Z6H | 0.9547 |
3 | BMA BMA BGC | 0.9426 |
4 | GTM BGC BGC | 0.9398 |
5 | SGC SGC BGC | 0.9320 |
6 | BMA BMA BMA | 0.9306 |
7 | GS1 GLC GS1 | 0.9182 |
8 | GS1 GS1 BGC | 0.9103 |
9 | GAL GAL GAL | 0.9033 |
10 | GCU MAV MAW | 0.8932 |
11 | XYP XYP XYP | 0.8869 |
12 | XYS XYP XYP | 0.8703 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | G3I | 0.9467 |
2 | MGL SGC BGC BGC | 0.9414 |
3 | GTM BGC BGC GDA | 0.9190 |
4 | GS1 SGC BGC SGC | 0.9179 |
5 | MGL SGC GLC GLC | 0.9143 |
6 | FRU BGC BGC BGC | 0.9138 |
7 | BMA BMA BMA BMA | 0.8922 |
8 | BEM BEM BEM MAW | 0.8681 |
9 | RCB | 0.8669 |
10 | XYP XYP XYP XYP | 0.8602 |
This union binding pocket(no: 1) in the query (biounit: 5oa6.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |