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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 | 3WD4 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
2 | 6JKF | Kd = 0.19 uM | BV0 | C24 H25 N6 O3 | CC1=CC=CN2.... |
3 | 1UR9 | Ki = 1.7 uM | GDL PHJ NAG | n/a | n/a |
4 | 1W1Y | ic50 = 2.4 mM | TYP | C14 H16 N2 O3 | c1cc(ccc1C.... |
5 | 6JK9 | Ki = 0.41 uM | BU0 | C27 H25 N5 O2 | C[C@@H](c1.... |
6 | 1H0G | - | 0AR DPR HSE HIS UN1 | n/a | n/a |
7 | 1E6N | - | NAG NAG NAG NAG NAG | n/a | n/a |
8 | 4Z2H | ic50 = 8.3 uM | M6A | C33 H57 N5 O10 | [H]/N=C(NC.... |
9 | 4Z2K | - | M6E | C38 H67 N5 O10 | [H]/N=C(/N.... |
10 | 3WD2 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
11 | 1E6Z | - | NAG NAG | n/a | n/a |
12 | 7C34 | Ki = 11.79 uM | BER | C20 H18 N O4 | COc1ccc2cc.... |
13 | 1W1V | ic50 = 6.3 mM | ALJ | C11 H19 N5 O2 | C1C[C@H]2C.... |
14 | 3WD1 | ic50 = 0.022 uM | ST7 | C37 H41 N11 O4 | [H]/N=C(/N.... |
15 | 3WD3 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
16 | 1H0I | - | VR0 MEA IAS IAS DAL | n/a | n/a |
17 | 1E6R | - | NAA AMI NAA | n/a | n/a |
18 | 4Z2I | ic50 = 0.036 uM | M6B | C34 H59 N5 O10 | [H]/N=C(NC.... |
19 | 1O6I | Ki = 0.65 mM | 0HZ | C11 H20 N5 O2 | NULL |
20 | 1W1P | ic50 = 5 mM | GIO | C7 H10 N2 O2 | C1C[C@H]2C.... |
21 | 1W1T | ic50 = 1.1 mM | CHQ | C11 H14 N4 O2 | c1c([nH]cn.... |
22 | 1UR8 | Ki = 45 uM | GDL NAG | n/a | n/a |
23 | 4Z2L | - | M6F | C31 H55 N5 O10 | [H]/N=C(NC.... |
24 | 1OGG | Ki = 6.4 uM | NAA AMI NAA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 11 families. | |||||
1 | 3WD4 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
2 | 6JKF | Kd = 0.19 uM | BV0 | C24 H25 N6 O3 | CC1=CC=CN2.... |
3 | 1UR9 | Ki = 1.7 uM | GDL PHJ NAG | n/a | n/a |
4 | 1W1Y | ic50 = 2.4 mM | TYP | C14 H16 N2 O3 | c1cc(ccc1C.... |
5 | 6JK9 | Ki = 0.41 uM | BU0 | C27 H25 N5 O2 | C[C@@H](c1.... |
6 | 1H0G | - | 0AR DPR HSE HIS UN1 | n/a | n/a |
7 | 1E6N | - | NAG NAG NAG NAG NAG | n/a | n/a |
8 | 4Z2H | ic50 = 8.3 uM | M6A | C33 H57 N5 O10 | [H]/N=C(NC.... |
9 | 4Z2K | - | M6E | C38 H67 N5 O10 | [H]/N=C(/N.... |
10 | 3WD2 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
11 | 1E6Z | - | NAG NAG | n/a | n/a |
12 | 7C34 | Ki = 11.79 uM | BER | C20 H18 N O4 | COc1ccc2cc.... |
13 | 1W1V | ic50 = 6.3 mM | ALJ | C11 H19 N5 O2 | C1C[C@H]2C.... |
14 | 3WD1 | ic50 = 0.022 uM | ST7 | C37 H41 N11 O4 | [H]/N=C(/N.... |
15 | 3WD3 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
16 | 1H0I | - | VR0 MEA IAS IAS DAL | n/a | n/a |
17 | 1E6R | - | NAA AMI NAA | n/a | n/a |
18 | 4Z2I | ic50 = 0.036 uM | M6B | C34 H59 N5 O10 | [H]/N=C(NC.... |
19 | 1O6I | Ki = 0.65 mM | 0HZ | C11 H20 N5 O2 | NULL |
20 | 1W1P | ic50 = 5 mM | GIO | C7 H10 N2 O2 | C1C[C@H]2C.... |
21 | 1W1T | ic50 = 1.1 mM | CHQ | C11 H14 N4 O2 | c1c([nH]cn.... |
22 | 1UR8 | Ki = 45 uM | GDL NAG | n/a | n/a |
23 | 4Z2L | - | M6F | C31 H55 N5 O10 | [H]/N=C(NC.... |
24 | 1OGG | Ki = 6.4 uM | NAA AMI NAA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AO3 | 1 | 1 |
2 | NAA AMI NAA | 1 | 1 |
3 | NAA AMI NA1 | 0.850575 | 0.984848 |
4 | NAG NGT NAG | 0.574468 | 0.797101 |
5 | NAG NAG NAG NAG NAG | 0.55814 | 0.753846 |
6 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.55814 | 0.753846 |
7 | NDG NAG NAG NAG NAG | 0.55814 | 0.753846 |
8 | NAG NAG NAG NAG NAG NAG | 0.55814 | 0.753846 |
9 | NAG NAG NAG NAG NAG NAG NAG | 0.516129 | 0.710145 |
10 | NAG NAG NAG NAG | 0.516129 | 0.710145 |
11 | NAG NAG NAG | 0.516129 | 0.710145 |
12 | GDL NAG | 0.511628 | 0.738462 |
13 | NGT NAG | 0.510638 | 0.782609 |
14 | NAG NOJ NAG | 0.510417 | 0.690141 |
15 | NAG NOJ NAG NAG | 0.510417 | 0.704225 |
16 | MBG A2G | 0.505747 | 0.723077 |
17 | Z4S NAG NAG | 0.494845 | 0.787879 |
18 | Z3Q NGA | 0.489583 | 0.675676 |
19 | AMV NAG AMU NAG | 0.480392 | 0.757576 |
20 | BGC GAL NGA | 0.473118 | 0.692308 |
21 | 6Y2 | 0.465347 | 0.675325 |
22 | BMA MAN NAG | 0.458333 | 0.692308 |
23 | NAG NGO | 0.458333 | 0.761194 |
24 | NAG NAG BMA MAN NAG | 0.45283 | 0.753846 |
25 | SN5 NGT SN5 | 0.45098 | 0.714286 |
26 | UMG | 0.449541 | 0.704225 |
27 | NAG NAG NAG TMX | 0.44898 | 0.808824 |
28 | NAG GAL NAG | 0.438776 | 0.738462 |
29 | MAN NAG | 0.438202 | 0.692308 |
30 | MAN NAG GAL | 0.4375 | 0.692308 |
31 | NDG NAG | 0.434783 | 0.753846 |
32 | GAL NAG GAL | 0.43299 | 0.692308 |
33 | GUM | 0.431193 | 0.704225 |
34 | NAG NAG BMA | 0.43 | 0.695652 |
35 | A2G NAG | 0.428571 | 0.738462 |
36 | MBG NAG | 0.428571 | 0.723077 |
37 | BGC GAL NAG | 0.424242 | 0.692308 |
38 | BMA MAN MAN NAG GAL NAG | 0.421053 | 0.738462 |
39 | GAL NGA | 0.419355 | 0.656716 |
40 | BGC GAL GLA NGA | 0.417476 | 0.692308 |
41 | BDP NPO NDG BDP NDG | 0.415254 | 0.675325 |
42 | 3QL | 0.412371 | 0.772727 |
43 | NAG GAL NAG GAL | 0.411765 | 0.738462 |
44 | NAG GAL NAG GAL NAG GAL | 0.411765 | 0.753846 |
45 | GAL NAG GAL NAG GAL | 0.411765 | 0.738462 |
46 | NAG NAG BMA MAN MAN NAG GAL NAG | 0.408333 | 0.753846 |
47 | SN5 NGT | 0.405941 | 0.714286 |
48 | MMA MAN NAG | 0.40404 | 0.723077 |
49 | GAL NGA A2G | 0.402062 | 0.738462 |
50 | AMU NAG | 0.401961 | 0.742424 |
51 | NAG NAG BMA MAN MAN NAG NAG | 0.401639 | 0.710145 |
52 | NDG BMA MAN MAN NAG GAL NAG | 0.4 | 0.753846 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3wd1.bio1) has 72 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5Y2C | NAG NAG NAG NAG NAG | 39.6867 |
2 | 1NWU | NAG NAG NAG NDG | 47.7901 |
This union binding pocket(no: 2) in the query (biounit: 3wd1.bio2) has 72 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6JMN | BV0 | 32.7968 |
2 | 5Y2C | NAG NAG NAG NAG NAG | 39.6867 |
3 | 6HM1 | AO3 | 42.75 |
4 | 1NWU | NAG NAG NAG NDG | 47.7901 |
5 | 6KXL | NAG | 48.9247 |
This union binding pocket(no: 3) in the query (biounit: 3wd1.bio2) has 72 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |