- 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 1331 families. | |||||
1 | 3LLZ | Kd = 16 uM | NGA GAL | n/a | n/a |
2 | 3LM1 | Kd = 20 uM | LEC | C14 H18 N2 O8 | CC(=O)N[C@.... |
3 | 4R6O | Ka = 335000 M^-1 | ZZ1 GLA | n/a | n/a |
4 | 4R6N | Ka = 150 M^-1 | MBG | C7 H14 O6 | CO[C@H]1[C.... |
5 | 5JM1 | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
6 | 5J51 | - | GLA GLA | n/a | n/a |
7 | 5J4T | - | MBG | C7 H14 O6 | CO[C@H]1[C.... |
8 | 1UGX | Ka = 806000 M^-1 | MGC GAL | n/a | n/a |
9 | 4R6P | Ka = 12900 M^-1 | ZZ1 GAL | n/a | n/a |
10 | 1PXD | Ka = 6500 M^-1 | SFP | C44 H34 N4 O12 S4 | c1c(ccc(c1.... |
11 | 4R6R | Ka = 2370 M^-1 | 147 | C12 H15 N O8 | c1cc(ccc1[.... |
12 | 4AKB | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
13 | 1KUJ | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
14 | 1JOT | - | A2G GAL | n/a | n/a |
15 | 1JAC | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
16 | 1M26 | - | A2G GAL | n/a | n/a |
17 | 1TOQ | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3LLZ | Kd = 16 uM | NGA GAL | n/a | n/a |
2 | 3LM1 | Kd = 20 uM | LEC | C14 H18 N2 O8 | CC(=O)N[C@.... |
3 | 4R6Q | Ka = 77900 M^-1 | NBZ GLA | n/a | n/a |
4 | 5J4X | - | MBG GAL | n/a | n/a |
5 | 4R6O | Ka = 335000 M^-1 | ZZ1 GLA | n/a | n/a |
6 | 4R6N | Ka = 150 M^-1 | MBG | C7 H14 O6 | CO[C@H]1[C.... |
7 | 5JM1 | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
8 | 5J51 | - | GLA GLA | n/a | n/a |
9 | 5J4T | - | MBG | C7 H14 O6 | CO[C@H]1[C.... |
10 | 1UGX | Ka = 806000 M^-1 | MGC GAL | n/a | n/a |
11 | 4R6P | Ka = 12900 M^-1 | ZZ1 GAL | n/a | n/a |
12 | 1PXD | Ka = 6500 M^-1 | SFP | C44 H34 N4 O12 S4 | c1c(ccc(c1.... |
13 | 4R6R | Ka = 2370 M^-1 | 147 | C12 H15 N O8 | c1cc(ccc1[.... |
14 | 4AKC | - | A2G GAL | n/a | n/a |
15 | 4AKB | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
16 | 1KUJ | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
17 | 1JOT | - | A2G GAL | n/a | n/a |
18 | 1JAC | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
19 | 1M26 | - | A2G GAL | n/a | n/a |
20 | 1TOQ | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLA NPO | 1 | 1 |
2 | NBZ GLA | 1 | 1 |
3 | PNA | 1 | 1 |
4 | PNW | 1 | 1 |
5 | MBE | 1 | 1 |
6 | 147 | 1 | 1 |
7 | PNG | 1 | 1 |
8 | KHP | 0.895833 | 0.924528 |
9 | NGB | 0.754098 | 0.962264 |
10 | NPJ | 0.725806 | 0.962264 |
11 | NSQ | 0.706897 | 0.731343 |
12 | RCB | 0.703125 | 0.962264 |
13 | GAA | 0.661017 | 0.980769 |
14 | PNJ | 0.644068 | 0.910714 |
15 | GAT | 0.62963 | 0.716981 |
16 | JFZ | 0.614035 | 0.846154 |
17 | GAL PHB | 0.614035 | 0.634615 |
18 | 56N | 0.611111 | 0.647059 |
19 | LEC | 0.590909 | 0.836066 |
20 | 6ZC | 0.590909 | 0.836066 |
21 | 3XN | 0.589041 | 0.809524 |
22 | XTG | 0.577465 | 0.862069 |
23 | A2G NPO GAL | 0.575342 | 0.809524 |
24 | C3G | 0.57377 | 0.830189 |
25 | 3X8 | 0.566667 | 0.622642 |
26 | HNW | 0.548387 | 0.611111 |
27 | 145 | 0.53125 | 0.962264 |
28 | LAM | 0.530864 | 0.910714 |
29 | GLA BEZ | 0.507692 | 0.653846 |
30 | 6Y2 | 0.493671 | 0.796875 |
31 | LEC NGA | 0.493671 | 0.796875 |
32 | BDP NPO NDG BDP NDG | 0.442105 | 0.796875 |
33 | DCB | 0.432099 | 0.822581 |
34 | BDP NPO GNS BDP | 0.431579 | 0.675676 |
35 | SA0 | 0.430769 | 0.622642 |
36 | BDP NPO GNS BDP GNS BDP GNS | 0.427083 | 0.689189 |
37 | 6GR | 0.426471 | 0.641509 |
38 | A24 | 0.425287 | 0.689189 |
39 | 1DM | 0.425287 | 0.68 |
40 | NFG | 0.424658 | 0.836066 |
41 | M2F | 0.424658 | 0.836066 |
42 | 7KP | 0.410959 | 0.622642 |
43 | 04G GAL | 0.407895 | 0.637931 |
44 | MBF NIN BMA BMA | 0.406977 | 0.822581 |
45 | A32 | 0.406593 | 0.689189 |
46 | XYS NPO XYS | 0.405405 | 0.907407 |
47 | AI1 | 0.4 | 0.610169 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GAL NPO | 0.9909 |
2 | BO1 | 0.9350 |
3 | 6T5 | 0.9231 |
4 | MRE | 0.9221 |
5 | F1T | 0.9214 |
6 | ZZ1 GAL | 0.9174 |
7 | CT7 | 0.9133 |
8 | 40W | 0.9091 |
9 | KUQ | 0.9042 |
10 | QC1 | 0.9040 |
11 | 5YA | 0.9027 |
12 | 73E | 0.9025 |
13 | F0C | 0.9020 |
14 | KVQ | 0.9004 |
15 | 697 | 0.8987 |
16 | GLA GAL | 0.8980 |
17 | 6MY | 0.8974 |
18 | NAR | 0.8969 |
19 | UKW | 0.8954 |
20 | 8E3 | 0.8951 |
21 | 88X | 0.8945 |
22 | 5WW | 0.8941 |
23 | 7NU | 0.8931 |
24 | MHD GAL | 0.8924 |
25 | CWP | 0.8915 |
26 | 22M | 0.8914 |
27 | NU3 | 0.8904 |
28 | GAL BGC | 0.8894 |
29 | KVN | 0.8887 |
30 | GLC GLA | 0.8880 |
31 | 4K9 | 0.8874 |
32 | 7ZO | 0.8872 |
33 | 121 | 0.8871 |
34 | 801 | 0.8871 |
35 | U55 | 0.8870 |
36 | O9Z | 0.8869 |
37 | BNY | 0.8868 |
38 | PTQ | 0.8868 |
39 | QTJ | 0.8866 |
40 | YX0 | 0.8866 |
41 | 0QX | 0.8865 |
42 | KVW | 0.8862 |
43 | TYP | 0.8861 |
44 | 338 | 0.8855 |
45 | ZZ1 GLA | 0.8845 |
46 | MHB | 0.8843 |
47 | AGI | 0.8840 |
48 | NPZ | 0.8832 |
49 | O9T | 0.8825 |
50 | DMB | 0.8814 |
51 | TCW | 0.8814 |
52 | 3TI | 0.8812 |
53 | 5TU | 0.8812 |
54 | 244 | 0.8811 |
55 | SIJ | 0.8810 |
56 | INI | 0.8809 |
57 | LZK | 0.8806 |
58 | LU2 | 0.8800 |
59 | 205 | 0.8793 |
60 | 2UV | 0.8792 |
61 | 120 | 0.8790 |
62 | 1FL | 0.8786 |
63 | 2OX | 0.8784 |
64 | 15I | 0.8782 |
65 | 25K | 0.8772 |
66 | 6BK | 0.8771 |
67 | TH1 | 0.8767 |
68 | AV6 | 0.8762 |
69 | OSY | 0.8760 |
70 | PU2 | 0.8757 |
71 | T5J | 0.8756 |
72 | MQ1 | 0.8752 |
73 | 6JP | 0.8745 |
74 | J8D | 0.8743 |
75 | 3WK | 0.8743 |
76 | M01 | 0.8741 |
77 | BGC BGC | 0.8738 |
78 | ECZ | 0.8732 |
79 | EMU | 0.8729 |
80 | FLF | 0.8729 |
81 | LVE | 0.8727 |
82 | XYS XYP | 0.8727 |
83 | FL9 | 0.8725 |
84 | SAK | 0.8722 |
85 | LOX XYP | 0.8720 |
86 | 7FZ | 0.8714 |
87 | PCG | 0.8713 |
88 | BGC GAL | 0.8713 |
89 | 35G | 0.8712 |
90 | JD7 | 0.8706 |
91 | 122 | 0.8704 |
92 | GYZ | 0.8702 |
93 | S1C | 0.8702 |
94 | JE7 | 0.8696 |
95 | TOP | 0.8693 |
96 | MRI | 0.8691 |
97 | TVZ | 0.8690 |
98 | TVC | 0.8689 |
99 | XYP XIM | 0.8689 |
100 | NQE | 0.8687 |
101 | STL | 0.8687 |
102 | AYS | 0.8685 |
103 | KMP | 0.8683 |
104 | E9L | 0.8682 |
105 | QRQ | 0.8682 |
106 | 9K2 | 0.8680 |
107 | MGL GAL | 0.8680 |
108 | MXA | 0.8678 |
109 | J90 | 0.8677 |
110 | GLC GAL | 0.8676 |
111 | GVI | 0.8673 |
112 | OUA | 0.8672 |
113 | BXZ | 0.8670 |
114 | XYP XYP | 0.8669 |
115 | AX4 | 0.8665 |
116 | OUG | 0.8663 |
117 | 4K2 | 0.8660 |
118 | MQS | 0.8658 |
119 | AUY | 0.8658 |
120 | NW1 | 0.8657 |
121 | 5R9 | 0.8655 |
122 | 2ZI | 0.8652 |
123 | 7GY | 0.8650 |
124 | BJ4 | 0.8649 |
125 | 1UT | 0.8647 |
126 | VT3 | 0.8647 |
127 | F18 | 0.8644 |
128 | CDJ | 0.8643 |
129 | NQK | 0.8641 |
130 | 056 | 0.8640 |
131 | IY5 | 0.8638 |
132 | 9PP | 0.8637 |
133 | MTA | 0.8633 |
134 | 6H2 | 0.8631 |
135 | 5R8 | 0.8631 |
136 | 1OX | 0.8629 |
137 | LKS | 0.8619 |
138 | M3W | 0.8619 |
139 | W2E | 0.8618 |
140 | UAY | 0.8613 |
141 | FYJ | 0.8613 |
142 | LZJ | 0.8610 |
143 | DIH | 0.8605 |
144 | XYS XYS | 0.8604 |
145 | CA2 | 0.8604 |
146 | GLC BGC | 0.8601 |
147 | BQZ | 0.8599 |
148 | XAV | 0.8596 |
149 | 3CA | 0.8595 |
150 | UN4 | 0.8592 |
151 | 3WJ | 0.8591 |
152 | JFS | 0.8591 |
153 | J8G | 0.8585 |
154 | BMA GAL | 0.8583 |
155 | GLC IFM | 0.8580 |
156 | 7WD | 0.8579 |
157 | ELH | 0.8576 |
158 | U4J | 0.8567 |
159 | 91F | 0.8565 |
160 | 5XM | 0.8564 |
161 | OAK | 0.8557 |
162 | 4KN | 0.8557 |
163 | ZEA | 0.8554 |
164 | 4ZF | 0.8551 |
165 | YJX | 0.8551 |
166 | XYS AZI XYS | 0.8543 |
167 | CMZ | 0.8538 |
168 | CC2 | 0.8531 |
169 | P34 | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 1ugx.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |