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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3Q86 | - | GTP MG | n/a | n/a |
2 | 3Q8U | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 3Q8V | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1F6T | - | TBD | C10 H19 B N2 O10 P2 | [BH3-][P@@.... |
2 | 1NDP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 3FKB | - | TNM | C9 H15 N5 O7 P2 | C[C@H](Cn1.... |
4 | 1KDN | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
5 | 1LWX | - | AZD | C10 H15 N5 O10 P2 | CC1=CN(C(=.... |
6 | 1NDC | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
7 | 2BEF | - | BEF ADP | n/a | n/a |
8 | 1F3F | Kd = 21.3 uM | D4T | C10 H15 N2 O13 P3 | CC1=CN(C(=.... |
9 | 4CP5 | Kd = 452 uM | EOI | C9 H16 N5 O9 P3 S | C[C@H](Cn1.... |
10 | 1B4S | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 1S5Z | - | SON | C12 H16 N5 O8 P | c1nc(c2c(n.... |
12 | 1MN7 | - | ABT | C10 H17 B N5 O12 P3 | B=P(O)(OC[.... |
13 | 3EVO | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
14 | 3ELH | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
15 | 3GP9 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
16 | 3EJM | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
17 | 3FBB | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
18 | 3EMT | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
19 | 3FCV | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
20 | 3EIC | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
21 | 3EVM | - | YYY | C9 H15 N3 O10 P2 | C1[C@@H]([.... |
22 | 3B6B | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
23 | 3FCW | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
24 | 2B8Q | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
25 | 3DKD | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
26 | 3DDI | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
27 | 3FBE | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
28 | 3ETM | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
29 | 3GPA | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
30 | 3ENA | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
31 | 3EM1 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
32 | 3EE3 | - | CDP MG | n/a | n/a |
33 | 3NGU | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
34 | 3Q86 | - | GTP MG | n/a | n/a |
35 | 3Q8U | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
36 | 3Q8V | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
37 | 1WKL | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
38 | 1ZS6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
39 | 6XPV | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
40 | 6XPW | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
41 | 6XPU | - | IDP | C10 H14 N4 O11 P2 | c1nc2c(n1[.... |
42 | 6XPT | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
43 | 6XP7 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
44 | 6XPS | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
45 | 4UOG | - | YYY | C9 H15 N3 O10 P2 | C1[C@@H]([.... |
46 | 4UOH | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
47 | 2AZ3 | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
48 | 1NHK | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
49 | 1NLK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
50 | 1BE4 | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
51 | 3BBB | - | DG | C10 H14 N5 O7 P | c1nc2c(n1[.... |
52 | 1NUE | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
53 | 1BHN | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
54 | 2HVD | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
55 | 1UCN | Kd = 6 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
56 | 3BBF | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
57 | 2HVE | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GTP MG | 1 | 1 |
2 | GDP BEF | 0.865854 | 0.973333 |
3 | GDP ALF | 0.816092 | 0.924051 |
4 | GDP AF3 | 0.816092 | 0.924051 |
5 | GDP 7MG | 0.776596 | 0.948052 |
6 | ALF 5GP | 0.767442 | 0.924051 |
7 | 5GP | 0.73494 | 0.972973 |
8 | G | 0.73494 | 0.972973 |
9 | GDP | 0.732558 | 0.96 |
10 | GP3 | 0.72093 | 0.935065 |
11 | GP2 | 0.712644 | 0.923077 |
12 | GNH | 0.704545 | 0.947368 |
13 | G2P | 0.692308 | 0.923077 |
14 | GTP | 0.688889 | 0.96 |
15 | GMV | 0.688889 | 0.935065 |
16 | GCP | 0.681319 | 0.935065 |
17 | G1R | 0.681319 | 0.947368 |
18 | 9GM | 0.673913 | 0.935065 |
19 | GSP | 0.673913 | 0.911392 |
20 | GNP | 0.673913 | 0.935065 |
21 | GAV | 0.659574 | 0.923077 |
22 | G2R | 0.639175 | 0.923077 |
23 | GMP | 0.621951 | 0.866667 |
24 | GPG | 0.616162 | 0.923077 |
25 | G1R G1R | 0.612069 | 0.935897 |
26 | Y9Z | 0.607843 | 0.86747 |
27 | GDD | 0.607843 | 0.923077 |
28 | GKE | 0.607843 | 0.923077 |
29 | GDC | 0.607843 | 0.923077 |
30 | PGD O | 0.606838 | 0.83908 |
31 | GDR | 0.601942 | 0.923077 |
32 | GTG | 0.601942 | 0.924051 |
33 | GFB | 0.601942 | 0.923077 |
34 | GKD | 0.6 | 0.923077 |
35 | YGP | 0.598039 | 0.888889 |
36 | 6CK | 0.596154 | 0.9 |
37 | G3A | 0.596154 | 0.935065 |
38 | KB7 | 0.595745 | 0.8375 |
39 | G5P | 0.590476 | 0.935065 |
40 | JB2 | 0.584906 | 0.923077 |
41 | GPD | 0.579439 | 0.888889 |
42 | GDX | 0.579439 | 0.935065 |
43 | G3D | 0.571429 | 0.946667 |
44 | 3GP | 0.56044 | 0.933333 |
45 | G4P | 0.56 | 0.946667 |
46 | I2C FE2 CMO CMO | 0.559322 | 0.83908 |
47 | JB3 | 0.553571 | 0.911392 |
48 | FEG | 0.548673 | 0.86747 |
49 | NGD | 0.548673 | 0.948052 |
50 | ATP MG | 0.547368 | 0.905405 |
51 | ADP PO3 | 0.547368 | 0.905405 |
52 | ZGP | 0.54386 | 0.857143 |
53 | KBD | 0.538462 | 0.8375 |
54 | 0O2 | 0.538462 | 0.946667 |
55 | U2G | 0.535088 | 0.9 |
56 | 2MD | 0.534483 | 0.857143 |
57 | CAG | 0.533898 | 0.869048 |
58 | KBJ | 0.53271 | 0.807229 |
59 | MD1 | 0.528926 | 0.857143 |
60 | CG2 | 0.525862 | 0.9 |
61 | G C | 0.521368 | 0.935897 |
62 | MGD | 0.521008 | 0.857143 |
63 | M7G A2M G | 0.517483 | 0.83908 |
64 | 2GP | 0.510638 | 0.921053 |
65 | TPG | 0.508065 | 0.808989 |
66 | PGD | 0.504065 | 0.888889 |
67 | DBG | 0.496 | 0.911392 |
68 | FE9 | 0.495935 | 0.784946 |
69 | GTP 5GP | 0.482456 | 0.934211 |
70 | GPX | 0.481132 | 0.907895 |
71 | APC G U | 0.48 | 0.922078 |
72 | BEF ADP | 0.48 | 0.881579 |
73 | GH3 | 0.47619 | 0.934211 |
74 | DGI | 0.475248 | 0.886076 |
75 | ADP BEF | 0.474227 | 0.905405 |
76 | ADP MG | 0.474227 | 0.905405 |
77 | BGO | 0.470588 | 0.8875 |
78 | G4M | 0.470149 | 0.847059 |
79 | P2G | 0.469388 | 0.87013 |
80 | ATP A A A | 0.468468 | 0.893333 |
81 | ATP A | 0.468468 | 0.893333 |
82 | P1G | 0.46 | 0.858974 |
83 | DGP | 0.459184 | 0.897436 |
84 | DG | 0.459184 | 0.897436 |
85 | AKW | 0.458333 | 0.878049 |
86 | DGT | 0.457143 | 0.886076 |
87 | IDP | 0.455446 | 0.933333 |
88 | VO4 ADP | 0.451923 | 0.883117 |
89 | IMP | 0.44898 | 0.945946 |
90 | GGM | 0.447154 | 0.865854 |
91 | QBQ | 0.442308 | 0.946667 |
92 | ALF ADP | 0.438095 | 0.8375 |
93 | 5GP 5GP | 0.432692 | 0.92 |
94 | G7M | 0.43 | 0.960526 |
95 | G1G | 0.429688 | 0.9125 |
96 | SGP | 0.425743 | 0.814815 |
97 | R5I | 0.424528 | 0.907895 |
98 | R7I | 0.424528 | 0.907895 |
99 | PCG | 0.423077 | 0.92 |
100 | C2E | 0.423077 | 0.907895 |
101 | 35G | 0.423077 | 0.92 |
102 | 4TA | 0.420635 | 0.8 |
103 | OMC OMU OMG OMG U | 0.41844 | 0.901235 |
104 | AR6 AR6 | 0.415254 | 0.881579 |
105 | GPC | 0.414062 | 0.86747 |
106 | ANP MG | 0.411215 | 0.87013 |
107 | MGP | 0.411215 | 0.948052 |
108 | PO4 PO4 A A A A PO4 | 0.410714 | 0.866667 |
109 | ADP BMA | 0.410714 | 0.858974 |
110 | 6G0 | 0.407407 | 0.948052 |
This union binding pocket(no: 1) in the query (biounit: 3q8u.bio2) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3q8u.bio2) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3q8u.bio2) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3q8u.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 3q8u.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 3q8u.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |