- 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 426 families. | |||||
1 | 4YLZ | Kd = 270 uM | BGC GAL NAG GAL | n/a | n/a |
2 | 5CBL | - | BGC GAL | n/a | n/a |
3 | 4YM0 | Kd = 510 uM | BGC GAL NAG GAL | n/a | n/a |
4 | 4YM2 | Kd = 1400 uM | BGC GAL | n/a | n/a |
5 | 4YM3 | Kd = 1900 uM | BGC GAL | n/a | n/a |
6 | 4YM1 | Kd = 580 uM | BGC GAL FUC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 5NF9 | Kd = 4.7 uM | 8VW | C22 H32 N2 O12 | CC(=O)N[C@.... |
2 | 6Y78 | - | BGC GAL | n/a | n/a |
3 | 5E8A | Kd = 0.034 uM | 5KS | C28 H30 F2 N6 O8 S | c1cc(ccc1c.... |
4 | 6QLQ | Kd = 31 uM | J4E | C21 H22 F N3 O4 S | Cc1ccc(cc1.... |
5 | 1A3K | - | NAG GAL | n/a | n/a |
6 | 3T1M | Kd = 0.91 mM | DQT | C23 H27 N O7 | Cc1ccc(cc1.... |
7 | 6RHM | - | J1E | C25 H26 F2 N6 O5 S | c1cc(cc(c1.... |
8 | 6Q0Q | Kd = 535 mM | P8G | C25 H40 N6 O16 | CO[C@H]1[C.... |
9 | 4LBL | Kd = 11 uM | BGC GAL SIA | n/a | n/a |
10 | 6I77 | Kd = 11 uM | H5Q | C21 H20 F4 N4 O4 S | Cc1ccc(cc1.... |
11 | 6Y4C | - | BGC GAL | n/a | n/a |
12 | 2NMN | Kd = 260 uM | BGC GAL | n/a | n/a |
13 | 4R9B | - | BGC GAL | n/a | n/a |
14 | 6RHL | - | J0T | C25 H26 F2 N6 O5 S | c1cc(cc(c1.... |
15 | 2NN8 | Kd = 260 uM | BGC GAL | n/a | n/a |
16 | 6QLP | Kd = 22 uM | J3Q | C21 H20 F3 N3 O4 S | Cc1ccc(cc1.... |
17 | 4JC1 | Kd = 50 uM | YIO GAL | n/a | n/a |
18 | 4R9A | - | BGC GAL | n/a | n/a |
19 | 6QLS | Kd = 15 uM | HRK | C20 H27 N3 O9 S | c1ccc(cc1).... |
20 | 5EXO | - | 5SY | C19 H22 O9 | CC(=O)O[C@.... |
21 | 5ODY | Kd = 4 nM | 9SK | C30 H28 F5 N3 O11 S | c1cc(c(c2c.... |
22 | 5E88 | Kd = 0.065 uM | 5KT | C24 H28 N6 O8 S3 | c1cscc1c2c.... |
23 | 4R9D | - | BGC GAL | n/a | n/a |
24 | 6QLR | Kd = 8.8 uM | J4N | C21 H21 F2 N3 O4 S | Cc1ccc(cc1.... |
25 | 1KJL | Kd = 67 uM | NAG GAL | n/a | n/a |
26 | 6QLU | Kd = 5.2 uM | J62 | C22 H24 F N3 O4 S | Cc1ccc(cc1.... |
27 | 3T1L | Kd = 0.55 mM | MQT | C17 H22 O8 | Cc1ccc(cc1.... |
28 | 2XG3 | Kd = 18.2 uM | NAG GAL UNU | n/a | n/a |
29 | 4LBJ | Kd = 0.39 uM | BGC GAL NAG GAL | n/a | n/a |
30 | 6QLN | Kd = 88 uM | J5Q | C21 H22 F N3 O4 S | Cc1ccc(cc1.... |
31 | 4R9C | - | BGC GAL | n/a | n/a |
32 | 6I74 | Kd = 3.4 uM | H5Z | C21 H18 F5 N3 O4 S | Cc1ccc(cc1.... |
33 | 3ZSJ | Kd = 231 uM | BGC GAL | n/a | n/a |
34 | 4LBM | Kd = 0.97 uM | BGC GAL NAG GAL | n/a | n/a |
35 | 1KJR | Kd = 0.88 uM | NAG GAL BEK | n/a | n/a |
36 | 6EOL | Kd = 0.037 uM | BKH | C20 H16 Cl2 F3 N3 O4 S | c1cc(c(cc1.... |
37 | 6KXB | Kd ~ 1300 uM | GTR ADA ADA | n/a | n/a |
38 | 6I78 | Kd = 18 uM | H5H | C22 H22 F4 N4 O4 S | Cc1ccc(cc1.... |
39 | 6Q17 | Kd = 972 mM | P8J | C16 H27 N3 O11 | CO[C@H]1[C.... |
40 | 6QGE | Kd = 0.000000064 M | J1E | C25 H26 F2 N6 O5 S | c1cc(cc(c1.... |
41 | 6G0V | Kd = 166 uM | EGZ | C18 H25 N O13 S | C1[C@H](NC.... |
42 | 3AYE | - | BGC GAL | n/a | n/a |
43 | 6QLT | Kd = 23 uM | J5W | C21 H22 F N3 O4 S | Cc1ccc(cc1.... |
44 | 6EOG | Kd = 1.6 uM | BKK | C20 H17 Cl F3 N3 O4 S | c1cc(cc(c1.... |
45 | 6KXA | Kd ~ 1700 uM | GTR ADA | n/a | n/a |
46 | 5E89 | Kd = 0.014 uM | TD2 | C28 H30 F2 N6 O8 S | c1cc(cc(c1.... |
47 | 4LBO | Kd = 1.7 uM | BGC GAL SIA | n/a | n/a |
48 | 6QGF | Kd = 0.000000064 M | J0T | C25 H26 F2 N6 O5 S | c1cc(cc(c1.... |
49 | 6I76 | Kd = 8.5 uM | H5N | C21 H18 F4 N6 O4 S | Cc1ccc(cc1.... |
50 | 2NMO | Kd = 260 uM | BGC GAL | n/a | n/a |
51 | 3AYC | Kd = 57 uM | BGC GAL SIA NGA GAL | n/a | n/a |
52 | 4JCK | Kd = 4.3 mM | TWJ SDY | n/a | n/a |
53 | 5NFA | Kd = 5.6 uM | TVD TVM | n/a | n/a |
54 | 4LBK | Kd = 0.32 uM | BGC GAL NAG GAL | n/a | n/a |
55 | 5OAX | Kd = 27 nM | 9Q5 | C30 H30 F3 N3 O11 S | c1cc(cc(c1.... |
56 | 4RL7 | - | BGC GAL | n/a | n/a |
57 | 6QLO | Kd = 92 uM | J5E | C21 H21 F2 N3 O4 S | Cc1ccc(cc1.... |
58 | 3AYD | Kd = 65 uM | A2G NPO GAL | n/a | n/a |
59 | 4LBN | Kd = 0.65 uM | GLC GAL NAG GAL | n/a | n/a |
60 | 6I75 | Kd = 23 uM | H5T | C21 H19 F4 N3 O5 S | Cc1ccc(cc1.... |
61 | 6L68 | - | ALL | C6 H12 O6 | C([C@@H]1[.... |
62 | 1G86 | - | NEQ | C6 H7 N O2 | CCN1C(=O)C.... |
63 | 6L6C | - | 64K | C5 H10 O5 | C1[C@H]([C.... |
64 | 6L6B | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
65 | 1QKQ | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
66 | 1HDK | - | PMB | C6 H5 Hg O3 S | c1cc(ccc1S.... |
67 | 6QRN | - | RIP | C5 H10 O5 | C1[C@H]([C.... |
68 | 6L64 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
69 | 6L6D | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
70 | 2D6N | - | NAG GAL | n/a | n/a |
71 | 2D6M | - | GLC GAL | n/a | n/a |
72 | 2D6O | - | NAG GAL NAG GAL | n/a | n/a |
73 | 4XBN | Kd = 93 uM | NAG GAL | n/a | n/a |
74 | 5H9R | Kd = 0.84 uM | TGZ | C20 H26 F N3 O9 S | c1cc(cc(c1.... |
75 | 5H9P | Kd = 0.068 uM | TD2 | C28 H30 F2 N6 O8 S | c1cc(cc(c1.... |
76 | 5DG2 | - | GLC GAL | n/a | n/a |
77 | 5EWS | - | BGC GAL | n/a | n/a |
78 | 5NM1 | - | GLC GAL | n/a | n/a |
79 | 5NLD | - | GLC GAL | n/a | n/a |
80 | 5NMJ | - | GLC GAL | n/a | n/a |
81 | 5NLH | - | GLC GAL | n/a | n/a |
82 | 5NLE | - | GLC GAL | n/a | n/a |
83 | 4XBL | Kd = 340 uM | NAG GAL | n/a | n/a |
84 | 4Y24 | Kd = 0.22 uM | TD2 | C28 H30 F2 N6 O8 S | c1cc(cc(c1.... |
85 | 3T2T | - | MQT | C17 H22 O8 | Cc1ccc(cc1.... |
86 | 3OY8 | Kd = 220 uM | GCO GAL | n/a | n/a |
87 | 2EAL | - | GAL NGA A2G | n/a | n/a |
88 | 2ZHL | Kd = 3 uM | NAG GAL NAG GAL | n/a | n/a |
89 | 2ZHK | Kd = 3 uM | NAG GAL NAG GAL | n/a | n/a |
90 | 2ZHN | - | NAG GAL NAG GAL NAG GAL | n/a | n/a |
91 | 2ZHM | - | NAG GAL NAG GAL | n/a | n/a |
92 | 2EAK | - | GLC GAL | n/a | n/a |
93 | 3WLU | - | LSE | C18 H36 O10 Se Si | C[Si](C)(C.... |
94 | 5H9S | Kd = 87 uM | TGZ | C20 H26 F N3 O9 S | c1cc(cc(c1.... |
95 | 5H9Q | Kd = 38 uM | TD2 | C28 H30 F2 N6 O8 S | c1cc(cc(c1.... |
96 | 4XBQ | Kd = 270 uM | NAG GAL | n/a | n/a |
97 | 6A62 | - | BGC GAL | n/a | n/a |
98 | 6A64 | - | BGC GAL | n/a | n/a |
99 | 6A63 | - | BGC GAL | n/a | n/a |
100 | 5T7S | Kd = 3.1 uM | GLC GAL | n/a | n/a |
101 | 4BMB | Ka = 13000 M^-1 | BGC GAL | n/a | n/a |
102 | 5T7I | Kd = 0.33 uM | BGC GAL NAG GAL | n/a | n/a |
103 | 3VKO | - | NAG GAL SIA | n/a | n/a |
104 | 4BME | Ka = 13000 M^-1 | GLC GAL | n/a | n/a |
105 | 6W4Z | Kd = 9.17 uM | SZS | C17 H22 O9 | CO[C@H]1[C.... |
106 | 5T7T | Kd = 2.1 uM | NAG GAL | n/a | n/a |
107 | 6N3R | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
108 | 3I8T | Kd = 600 uM | GLC GAL | n/a | n/a |
109 | 3WV6 | - | BGC GAL | n/a | n/a |
110 | 3NV2 | - | NDG GAL | n/a | n/a |
111 | 3NV4 | - | BGC GAL SIA | n/a | n/a |
112 | 3NV3 | - | MAN NAG GAL | n/a | n/a |
113 | 6LJQ | - | BGC GAL | n/a | n/a |
114 | 3WUD | Kd = 41 uM | GLC GAL | n/a | n/a |
115 | 3GAL | - | 1GN | C6 H13 N O5 | C([C@@H]1[.... |
116 | 4UW6 | - | VV7 | C69 H77 N20 O39 | c1c(cc(cc1.... |
117 | 2GAL | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
118 | 4GAL | - | BGC GAL | n/a | n/a |
119 | 4UW3 | - | 50G | C31 H50 N10 O18 | c1c(nnn1[C.... |
120 | 4UW4 | - | 4S0 | C49 H80 N10 O33 | c1c(nnn1[C.... |
121 | 3ZXE | Kd = 450 uM | PGZ | C22 H28 N O8 P S | Cc1ccc(cc1.... |
122 | 5GAL | - | NAG GAL | n/a | n/a |
123 | 4UW5 | - | 4S0 | C49 H80 N10 O33 | c1c(nnn1[C.... |
124 | 1A78 | - | YIO GAL | n/a | n/a |
125 | 5DUW | Kd = 510 uM | BGC SGA | n/a | n/a |
126 | 5DUV | Kd = 1300 uM | BGC GAL | n/a | n/a |
127 | 5DUX | Kd = 380 uM | BGC GAL FUC | n/a | n/a |
128 | 4WVV | - | GLC GAL | n/a | n/a |
129 | 4WVW | - | GLC GAL SIA | n/a | n/a |
130 | 4YLZ | Kd = 270 uM | BGC GAL NAG GAL | n/a | n/a |
131 | 5CBL | - | BGC GAL | n/a | n/a |
132 | 4YM0 | Kd = 510 uM | BGC GAL NAG GAL | n/a | n/a |
133 | 4YM2 | Kd = 1400 uM | BGC GAL | n/a | n/a |
134 | 4YM3 | Kd = 1900 uM | BGC GAL | n/a | n/a |
135 | 4YM1 | Kd = 580 uM | BGC GAL FUC | n/a | n/a |
136 | 1IS4 | - | BGC GAL | n/a | n/a |
137 | 1WLD | - | BGC GAL | n/a | n/a |
138 | 6FOF | - | BGC GAL | n/a | n/a |
139 | 5NFB | Kd = 0.77 uM | 8VT | C30 H40 N2 O13 | CC(=O)N[C@.... |
140 | 5NF7 | Kd = 37.5 uM | TVD GAL | n/a | n/a |
141 | 1SLA | - | NAG BMA MAN MAN NAG GAL NAG GAL | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC GAL BGC FUC | 1 | 1 |
2 | BGC GAL FUC | 1 | 1 |
3 | BGC GAL FUC GLA | 0.735294 | 1 |
4 | NAG GAL FUC A2G | 0.695652 | 0.73913 |
5 | BGC GAL NAG GAL FUC | 0.675 | 0.73913 |
6 | BGC GAL NAG GAL FUC FUC | 0.642857 | 0.723404 |
7 | BGC GAL FUC A2G | 0.617284 | 0.73913 |
8 | XYS GAL FUC | 0.605634 | 0.971429 |
9 | NDG GAL FUC FUC | 0.605263 | 0.693878 |
10 | NDG FUC GAL FUC | 0.6 | 0.723404 |
11 | NAG GAL FUC FUC | 0.6 | 0.723404 |
12 | NAG GAL FUC | 0.594595 | 0.73913 |
13 | GLC BGC FUC GAL | 0.588235 | 1 |
14 | BGC FUC GAL | 0.588235 | 1 |
15 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.571429 | 0.970588 |
16 | MAN BMA BMA BMA BMA BMA BMA | 0.571429 | 0.970588 |
17 | GLC GLC GLC GLC BGC GLC GLC | 0.571429 | 0.970588 |
18 | GLA NAG GAL FUC | 0.5625 | 0.73913 |
19 | MAG GAL FUC FUC | 0.558442 | 0.708333 |
20 | MAG FUC GAL FUC | 0.558442 | 0.708333 |
21 | GAL NAG GAL FUC FUC | 0.554217 | 0.723404 |
22 | GLC GAL NAG GAL FUC GLA | 0.544444 | 0.73913 |
23 | BHE | 0.540541 | 0.790698 |
24 | NAG GAL FUC GLA | 0.536585 | 0.73913 |
25 | GLC GLC AC1 | 0.536232 | 0.767442 |
26 | 4YA | 0.534247 | 0.790698 |
27 | BGC GAL GLA | 0.529412 | 0.970588 |
28 | GAL FUC GAL | 0.528571 | 1 |
29 | GLC GAL NAG GAL FUC A2G | 0.515789 | 0.693878 |
30 | BGC GLC GLD GLC ACI GLD GLC ACI G6D | 0.511111 | 0.673469 |
31 | GAL NAG GAL FUC | 0.505882 | 0.708333 |
32 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.5 | 0.970588 |
33 | BGC GLC GLC | 0.5 | 0.970588 |
34 | BGC GAL NGA | 0.493506 | 0.755556 |
35 | ACG | 0.48913 | 0.717391 |
36 | GLC BGC G6D ACI | 0.488372 | 0.755556 |
37 | BGC GLC AGL GLC GLC GLC | 0.488095 | 0.73913 |
38 | BGC GAL NGA GAL | 0.4875 | 0.755556 |
39 | NAG FUC GAL | 0.487179 | 0.73913 |
40 | GLC GLC G6D ACI | 0.483146 | 0.723404 |
41 | BMA BMA BMA BMA | 0.479452 | 0.914286 |
42 | FUC GAL | 0.477612 | 0.970588 |
43 | BGC GAL NAG GAL | 0.47561 | 0.755556 |
44 | GLC GLC GLC GLC GLC | 0.473684 | 0.970588 |
45 | BGC GLC GLC GLC | 0.473684 | 0.970588 |
46 | MAN MAN MAN GLC | 0.472973 | 0.970588 |
47 | MBG GLA | 0.46875 | 0.971429 |
48 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.467532 | 0.970588 |
49 | BMA BMA BMA BMA GLA | 0.467532 | 0.970588 |
50 | GLC GLC GLC G6D ACI GLC GLC | 0.466667 | 0.755556 |
51 | BGC BGC XYS GAL | 0.4625 | 0.916667 |
52 | GLC GLC AGL HMC GLC | 0.462366 | 0.723404 |
53 | GLC GLC G6D GLC ACI GLC | 0.462366 | 0.723404 |
54 | GLC GLC AC1 GLC GLC GLC | 0.462366 | 0.723404 |
55 | BGC GAL SIA NGA GAL FUC | 0.461538 | 0.653846 |
56 | BGC FUC GAL FUC A2G | 0.460674 | 0.723404 |
57 | NAG NON FUC GAL FUC | 0.457447 | 0.618182 |
58 | GLC GLC AGL HMC | 0.456522 | 0.73913 |
59 | GAL NAG FUC GAL | 0.453488 | 0.73913 |
60 | BGC GAL GLA NGA GAL | 0.453488 | 0.755556 |
61 | NDG GAL | 0.452055 | 0.607143 |
62 | BGC FUC GAL NAG GAL | 0.451613 | 0.73913 |
63 | BGC DAF | 0.451219 | 0.755556 |
64 | BGC GAL NAG | 0.451219 | 0.755556 |
65 | ARE | 0.446809 | 0.755556 |
66 | AAO | 0.446809 | 0.755556 |
67 | NAG FUC | 0.445946 | 0.717391 |
68 | GLC GLC FRU | 0.444444 | 0.846154 |
69 | BGC GAL GLA NGA | 0.44186 | 0.755556 |
70 | GAL GLC GLD ACI | 0.44186 | 0.755556 |
71 | GAL FUC A2G | 0.439024 | 0.73913 |
72 | G2F SHG BGC BGC | 0.438356 | 0.868421 |
73 | NAG GAL | 0.438356 | 0.755556 |
74 | BGC BGC BGC XYS XYS GAL GAL | 0.438202 | 0.916667 |
75 | TXT | 0.436782 | 0.790698 |
76 | BGC FUC GAL NAG | 0.433333 | 0.73913 |
77 | G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D | 0.432432 | 0.942857 |
78 | BGC SGA | 0.432432 | 0.647059 |
79 | GAL FUC NGA | 0.428571 | 0.708333 |
80 | GAL FUC | 0.428571 | 0.942857 |
81 | BGC Z9D | 0.428571 | 0.942857 |
82 | BGC BGC BGC XYS BGC XYS GAL | 0.428571 | 0.916667 |
83 | MGL GAL | 0.426471 | 0.971429 |
84 | ABC | 0.424242 | 0.717391 |
85 | BGC GLA GAL | 0.424242 | 0.970588 |
86 | BGC BGC BGC XYS BGC XYS | 0.423529 | 0.916667 |
87 | GLC GLC GLC AC1 | 0.422222 | 0.723404 |
88 | GLC GLC GLC GLC GLC GLC AC1 | 0.422222 | 0.723404 |
89 | HSH GLA FUC | 0.421687 | 0.790698 |
90 | GLC GAL EMB GAL MEC | 0.421053 | 0.641509 |
91 | GTR RAM GTR RAM GTR RAM | 0.419753 | 0.692308 |
92 | BGC GLC AC1 GLC GLC GLC AC1 | 0.419355 | 0.723404 |
93 | BGC G6D GLC ACI G6D ACI | 0.419355 | 0.723404 |
94 | GLC GLC GLC DAF DAF | 0.419355 | 0.723404 |
95 | BGC BGC BGC XYS | 0.416667 | 0.916667 |
96 | NAG FUC GAL FUC A2G | 0.414894 | 0.693878 |
97 | NAG GAL FUC FUC A2G | 0.414894 | 0.693878 |
98 | AOG FUC | 0.414634 | 0.653846 |
99 | OPM MAN MAN | 0.414634 | 0.829268 |
100 | BMA MAN MAN MAN | 0.414634 | 0.944444 |
101 | BGC BGC BGC BGC BGC XYS | 0.413793 | 0.916667 |
102 | BGC BGC BGC BGC XYS BGC XYS BGC BGC | 0.413793 | 0.916667 |
103 | GLC AGL HMC | 0.413793 | 0.73913 |
104 | MAN MAN MAN MAN MAN MAN MAN | 0.413793 | 0.970588 |
105 | BGC BGC BGC XYS BGC XYS BGC XYS BGC | 0.413793 | 0.916667 |
106 | RAM MAN GLA ABE RAM MAN GLA | 0.411765 | 0.894737 |
107 | BGC BGC BGC XYS BGC XYS XYS GAL GAL | 0.410526 | 0.916667 |
108 | BGC BGC BGC XYS BGC XYS XYS GAL | 0.410526 | 0.916667 |
109 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.408163 | 0.755556 |
110 | AIG FUC | 0.407407 | 0.653846 |
111 | MAN BMA MAN MAN MAN MAN MAN | 0.406593 | 0.971429 |
112 | BGC BGC XYS XYS GAL | 0.406593 | 0.916667 |
113 | BGC GAL NAG NAG GAL GAL | 0.40625 | 0.708333 |
114 | NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN | 0.40404 | 0.755556 |
115 | BGC BGC BGC XYS BGC XYS XYS | 0.402299 | 0.916667 |
116 | GLA NAG FUC GAL | 0.402174 | 0.723404 |
117 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.402062 | 0.68 |
118 | MAN BMA BMA | 0.4 | 0.916667 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GAL FUC | 0.9615 |
2 | NDG GAL FUC | 0.9106 |
This union binding pocket(no: 1) in the query (biounit: 4ylz.bio4) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |