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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 20 families. | |||||
1 | 6EKU | ic50 = 52 uM | ZMR | C12 H20 N4 O7 | CC(=O)N[C@.... |
2 | 1W0P | Kd ~ 30 uM | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
3 | 6EKS | ic50 = 144 uM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
4 | 1W0O | Kd ~ 37 uM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 15 families. | |||||
1 | 6EKU | ic50 = 52 uM | ZMR | C12 H20 N4 O7 | CC(=O)N[C@.... |
2 | 1W0P | Kd ~ 30 uM | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
3 | 6EKS | ic50 = 144 uM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
4 | 1W0O | Kd ~ 37 uM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SIA | 1 | 1 |
2 | SLB | 1 | 1 |
3 | 18D | 0.758621 | 0.955556 |
4 | 42D | 0.758621 | 0.875 |
5 | NGC | 0.754386 | 0.933333 |
6 | NGE | 0.754386 | 0.933333 |
7 | MNA | 0.629032 | 0.895833 |
8 | 79J | 0.615385 | 0.934783 |
9 | CNP | 0.58209 | 0.875 |
10 | KDN | 0.568965 | 0.72093 |
11 | KDM | 0.568965 | 0.72093 |
12 | SIA SIA | 0.565789 | 0.826923 |
13 | SLB SIA | 0.565789 | 0.826923 |
14 | SIA SIA SIA SIA SIA SIA SIA | 0.558442 | 0.826923 |
15 | SLB SIA SIA | 0.558442 | 0.826923 |
16 | FSI | 0.515152 | 0.895833 |
17 | 6KL | 0.5 | 0.807692 |
18 | SFJ | 0.5 | 0.875 |
19 | MN0 | 0.485714 | 0.895833 |
20 | EQP | 0.470588 | 0.788462 |
21 | AXP | 0.470588 | 0.788462 |
22 | GAL SIA | 0.463415 | 0.86 |
23 | SID | 0.459459 | 0.82 |
24 | SIA SIA SIA | 0.453488 | 0.826923 |
25 | MUS | 0.449438 | 0.796296 |
26 | NXD | 0.447368 | 0.792453 |
27 | SIA WIA | 0.447059 | 0.767857 |
28 | SIA 2FG | 0.447059 | 0.796296 |
29 | SLT | 0.44086 | 0.877551 |
30 | KDO | 0.435484 | 0.704545 |
31 | SIA GAL | 0.435294 | 0.86 |
32 | SIA NAG | 0.430233 | 0.781818 |
33 | 4U0 | 0.427083 | 0.86 |
34 | 4U2 | 0.425532 | 0.843137 |
35 | BND | 0.416667 | 0.807692 |
36 | SKD | 0.414286 | 0.875 |
37 | SIA SIA GAL | 0.410526 | 0.811321 |
38 | 4U1 | 0.408163 | 0.826923 |
39 | E3M | 0.402778 | 0.606061 |
40 | SIA GAL GLC | 0.402062 | 0.86 |
41 | BGC SIA GAL | 0.402062 | 0.86 |
42 | GAL BGC SIA | 0.402062 | 0.86 |
43 | BGC GAL SIA | 0.402062 | 0.86 |
44 | SIA GAL BGC | 0.402062 | 0.86 |
45 | GLA GLC SIA | 0.402062 | 0.86 |
46 | 4AM | 0.4 | 0.833333 |
47 | DAN | 0.4 | 0.911111 |
This union binding pocket(no: 1) in the query (biounit: 1w0o.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4WG0 | CHD | None |
2 | 3HYW | DCQ | 1.39535 |
3 | 4WA4 | G39 | 1.80412 |
4 | 6I6X | H6B | 2.39234 |
5 | 6I6R | H62 | 2.39234 |
6 | 5BRP | PNG | 2.46479 |
7 | 3VSV | XYP | 2.50784 |
8 | 4B7J | G39 | 2.55864 |
9 | 2WZF | BGC | 2.66667 |
10 | 4QN7 | G39 | 2.82051 |
11 | 1KYA | XYD | 3.00601 |
12 | 4ISS | TAR | 3.57143 |
13 | 2FN8 | RIP | 3.63036 |
14 | 6F1J | EDG | 3.69231 |
15 | 4QN6 | LNV | 3.83632 |
16 | 4HZX | G39 | 4.12371 |
17 | 5A69 | OGN | 4.6225 |
18 | 2QB8 | ATP | 4.78589 |
19 | 3A72 | AHR AHR | 4.78873 |
20 | 1YRO | UDP | 4.8951 |
21 | 6F6D | AKG | 5.68627 |
22 | 5M1Z | 6LW AHR | 5.72207 |
23 | 6ARJ | SAH | 5.73066 |
24 | 6ARJ | BW4 | 5.73066 |
25 | 2EPN | NGT | 5.74163 |
26 | 5B2D | SLT | 5.93047 |
27 | 5FWE | OGA | 7.34908 |
28 | 2OS2 | OGA | 7.34908 |
29 | 2YBP | 2HG | 7.34908 |
30 | 3HAV | ATP | 7.35786 |
31 | 4GZP | G39 | 8.6514 |
32 | 1SQ5 | PAU | 8.76623 |
33 | 2J0B | UDP | 8.92857 |
34 | 3N29 | GOL | 9.09091 |
35 | 3KO0 | TFP | 9.90099 |
36 | 3TIC | ZMR | 10.2345 |
37 | 5LY2 | OGA | 42.8571 |
This union binding pocket(no: 2) in the query (biounit: 1w0o.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1RE8 | BD2 | 1.42857 |
2 | 2PTR | 2SA | 1.51515 |
3 | 1EZ0 | NAP | 1.66453 |
4 | 4ZY1 | 4U5 | 1.91571 |
5 | 3FSM | 2NC | 1.97044 |
6 | 3KA2 | 2NC | 1.97044 |
7 | 1S7G | NAD | 1.97628 |
8 | 6HLY | G9Z | 2.05279 |
9 | 4EIL | NDP | 2.12014 |
10 | 2XG9 | NOJ GLC | 2.24299 |
11 | 4OAG | ADP | 2.38806 |
12 | 1FQ5 | 0GM | 2.43161 |
13 | 4M2K | PLP | 2.46305 |
14 | 4I8P | NAD | 2.5 |
15 | 3RHJ | NAP | 2.51451 |
16 | 2D1S | SLU | 2.55474 |
17 | 6MA3 | JAJ | 2.62794 |
18 | 3R1Z | ALA GLU | 2.63852 |
19 | 4R84 | CSF | 2.7833 |
20 | 3KJS | NAP | 2.87908 |
21 | 3KJS | DQ1 | 2.87908 |
22 | 4WJT | NAG | 2.99401 |
23 | 3D3X | ARG ILE MET GLU NH2 | 3.0445 |
24 | 1V25 | ANP | 3.14233 |
25 | 1U8X | NAD | 3.17797 |
26 | 1EIX | BMQ | 3.26531 |
27 | 5L4L | 7OX | 3.28947 |
28 | 3FW4 | CAQ | 3.37079 |
29 | 1AJS | PLA | 3.39806 |
30 | 6DND | PLP | 3.40633 |
31 | 5XWV | NDP | 3.42742 |
32 | 5XWV | 8H6 | 3.42742 |
33 | 2WOX | NDP | 3.47648 |
34 | 5YIC | 8VO | 3.65854 |
35 | 1YQZ | FAD | 3.71319 |
36 | 3IUY | AMP | 3.94737 |
37 | 3U7S | 017 | 4.0404 |
38 | 4X6I | 3Y1 | 4.18605 |
39 | 4OR7 | NAP | 4.24242 |
40 | 3DG6 | MUC | 4.35967 |
41 | 5OE4 | 3UK | 4.4226 |
42 | 3FV3 | IVA VAL VAL STA ALA STA | 4.42478 |
43 | 1H8P | PC | 4.58716 |
44 | 5F33 | PGH | 4.59016 |
45 | 6GH9 | MIX | 4.65753 |
46 | 1XON | PIL | 4.87106 |
47 | 4GID | 0GH | 4.89691 |
48 | 4M8X | KGQ | 5.05051 |
49 | 3UBQ | SIA GAL | 5.08475 |
50 | 5XL4 | SIA | 5.11364 |
51 | 3WSJ | MK1 | 5.17241 |
52 | 3MF2 | AMP | 5.20231 |
53 | 4PIV | NDP | 5.30303 |
54 | 4Q5M | ROC | 5.41872 |
55 | 3PDB | PMP | 5.48628 |
56 | 3PD6 | PMP | 5.48628 |
57 | 1RVX | SIA GAL NAG | 5.625 |
58 | 2DPM | SAM | 5.6338 |
59 | 2Y4O | DLL | 5.64334 |
60 | 1UP7 | NAD | 5.7554 |
61 | 5DXV | NAP | 5.76923 |
62 | 1QS8 | IVA VAL VAL STA ALA STA | 5.77508 |
63 | 5T2Z | 017 | 6.06061 |
64 | 1SB8 | NAD | 6.53409 |
65 | 1SB8 | UD2 | 6.53409 |
66 | 4KM2 | ATR | 6.70391 |
67 | 4KM2 | TOP | 6.70391 |
68 | 1SMR | PIV HIS PRO PHE HIS LPL TYR TYR SER | 6.86567 |
69 | 1Q6D | GLC GLC | 6.86869 |
70 | 3EMY | IVA VAL VAL STA ALA STA | 6.99088 |
71 | 1SIV | PSI | 7.07071 |
72 | 1O9J | NAD | 7.18563 |
73 | 4EI7 | GDP | 7.45501 |
74 | 1CZA | G6P | 7.8105 |
75 | 3A5Z | KAA | 7.8534 |
76 | 4L1A | AB1 | 8.08081 |
77 | 4JEM | C5P | 8.23529 |
78 | 2CJF | RP4 | 8.28025 |
79 | 4USI | ATP | 8.44156 |
80 | 4FC7 | NAP | 8.66426 |
81 | 4FC7 | COA | 8.66426 |
82 | 4NJS | G08 | 9.09091 |
83 | 2G37 | FAD | 9.48012 |
84 | 1QRP | HH0 | 9.5092 |
85 | 4YHQ | G10 | 10.101 |
86 | 1IDA | 0PO | 10.101 |
87 | 2P3C | 3TL | 10.101 |
88 | 3O9L | LPN | 10.8434 |
89 | 5M42 | FMN | 11.1111 |
90 | 2VUT | NAD | 11.6279 |
91 | 2PID | YSA | 12.0787 |
92 | 3S43 | 478 | 12.1212 |
93 | 2QZX | IVA VAL VAL STA ALA STA | 12.5731 |
94 | 3NWQ | 2NC | 13.1313 |
95 | 3MWS | 017 | 13.1313 |
96 | 2FXD | DR7 | 13.1313 |
97 | 1BB6 | UMG | 13.9535 |
98 | 4H2V | AMP | 15.4545 |
99 | 2QO4 | CHD | 15.873 |
100 | 3DZ6 | M8E | 17.9104 |
101 | 1ONI | BEZ | 21.0145 |
102 | 2O4N | TPV | 21.2121 |
103 | 2P3B | 3TL | 22.2222 |
104 | 6C8X | BVR | 22.2222 |
105 | 3FGZ | BEF | 25.7812 |