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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 261 families. | |||||
1 | 3BL9 | ic50 = 43.94 nM | DD2 | C21 H23 Cl2 N5 O | c1cc(c(c(c.... |
2 | 3BL7 | ic50 = 7.62 nM | DD1 | C21 H24 F N5 O | c1ccc(c(c1.... |
3 | 5OSY | ic50 = 0.0447 uM | AJQ | C21 H30 N10 O15 P3 S3 | C[n+]1cn(c.... |
4 | 1XMM | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
5 | 1ST4 | - | GTA | C21 H30 N10 O17 P3 | C[n+]1cn(c.... |
6 | 1ST0 | - | GTG | C21 H30 N10 O18 P3 | C[n+]1cn(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 3BL9 | ic50 = 43.94 nM | DD2 | C21 H23 Cl2 N5 O | c1cc(c(c(c.... |
2 | 3BL7 | ic50 = 7.62 nM | DD1 | C21 H24 F N5 O | c1ccc(c(c1.... |
3 | 5OSY | ic50 = 0.0447 uM | AJQ | C21 H30 N10 O15 P3 S3 | C[n+]1cn(c.... |
4 | 1XMM | - | M7G | C11 H19 N5 O11 P2 | CN1CN(C2=C.... |
5 | 1ST4 | - | GTA | C21 H30 N10 O17 P3 | C[n+]1cn(c.... |
6 | 1ST0 | - | GTG | C21 H30 N10 O18 P3 | C[n+]1cn(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GTG | 1 | 1 |
2 | GP3 | 0.806818 | 0.962025 |
3 | GDP 7MG | 0.79798 | 0.974684 |
4 | 6G0 | 0.752688 | 0.974684 |
5 | GTP | 0.752688 | 0.936709 |
6 | MGP | 0.741935 | 0.974684 |
7 | GSP | 0.736842 | 0.891566 |
8 | GDP | 0.72043 | 0.936709 |
9 | GNH | 0.712766 | 0.925 |
10 | G1R | 0.708333 | 0.925 |
11 | GCP | 0.690722 | 0.91358 |
12 | GTA | 0.688679 | 1 |
13 | 9GM | 0.683673 | 0.91358 |
14 | GNP | 0.683673 | 0.91358 |
15 | G3A | 0.669811 | 0.962025 |
16 | G2R | 0.666667 | 0.902439 |
17 | 5GP | 0.666667 | 0.924051 |
18 | G | 0.666667 | 0.924051 |
19 | G5P | 0.663551 | 0.962025 |
20 | GMV | 0.663265 | 0.91358 |
21 | G7M | 0.655914 | 0.962025 |
22 | Y9Z | 0.650943 | 0.872093 |
23 | GFB | 0.64486 | 0.95 |
24 | GDR | 0.64486 | 0.95 |
25 | GAV | 0.637255 | 0.902439 |
26 | GKE | 0.635514 | 0.925926 |
27 | GDD | 0.635514 | 0.925926 |
28 | GDC | 0.635514 | 0.925926 |
29 | GP2 | 0.632653 | 0.902439 |
30 | JB2 | 0.627273 | 0.95 |
31 | GKD | 0.627273 | 0.925926 |
32 | 6CK | 0.623853 | 0.903614 |
33 | GPD | 0.621622 | 0.915663 |
34 | G2P | 0.617647 | 0.902439 |
35 | NGD | 0.617391 | 0.974684 |
36 | GPG | 0.613208 | 0.95 |
37 | YGP | 0.611111 | 0.892857 |
38 | GDP BEF | 0.607843 | 0.901235 |
39 | GDX | 0.607143 | 0.9375 |
40 | GTP MG | 0.601942 | 0.924051 |
41 | CAG | 0.6 | 0.917647 |
42 | ALF 5GP | 0.598039 | 0.858824 |
43 | JB3 | 0.594828 | 0.938272 |
44 | GDP AF3 | 0.579439 | 0.858824 |
45 | GDP ALF | 0.579439 | 0.858824 |
46 | TPG | 0.571429 | 0.855556 |
47 | 0O2 | 0.568807 | 0.924051 |
48 | KB7 | 0.563107 | 0.8 |
49 | 2MD | 0.561983 | 0.862069 |
50 | FEG | 0.55 | 0.894118 |
51 | MGD | 0.548387 | 0.862069 |
52 | GMP | 0.548387 | 0.825 |
53 | ZGP | 0.545455 | 0.883721 |
54 | MD1 | 0.543307 | 0.862069 |
55 | G3D | 0.542056 | 0.924051 |
56 | CG2 | 0.540984 | 0.903614 |
57 | MG7 | 0.537634 | 0.8625 |
58 | U2G | 0.53719 | 0.903614 |
59 | G4P | 0.53211 | 0.924051 |
60 | PGD | 0.53125 | 0.892857 |
61 | G1G | 0.527559 | 0.9875 |
62 | AKW | 0.52459 | 0.951219 |
63 | DBG | 0.523077 | 0.938272 |
64 | GH3 | 0.522936 | 0.9125 |
65 | KBD | 0.513274 | 0.821429 |
66 | FE9 | 0.511628 | 0.791667 |
67 | QBQ | 0.504673 | 0.924051 |
68 | DGT | 0.504587 | 0.86747 |
69 | 3GP | 0.5 | 0.8875 |
70 | G4M | 0.496403 | 0.895349 |
71 | KBJ | 0.495726 | 0.793103 |
72 | I2C FE2 CMO CMO | 0.48855 | 0.824176 |
73 | GPX | 0.486726 | 0.8875 |
74 | BGO | 0.47619 | 0.9625 |
75 | AJQ | 0.472441 | 0.951219 |
76 | 2GP | 0.471154 | 0.9 |
77 | MGO | 0.468468 | 0.879518 |
78 | DGI | 0.46789 | 0.86747 |
79 | G1R G1R | 0.466667 | 0.938272 |
80 | GGM | 0.465116 | 0.939024 |
81 | IDP | 0.462963 | 0.911392 |
82 | R5I | 0.459459 | 0.8875 |
83 | R7I | 0.459459 | 0.8875 |
84 | CZF | 0.454545 | 0.875 |
85 | PGD O | 0.452555 | 0.844444 |
86 | MGQ | 0.439655 | 0.95 |
87 | P2G | 0.435185 | 0.829268 |
88 | BA3 | 0.433962 | 0.886076 |
89 | GPC | 0.432836 | 0.850575 |
90 | B4P | 0.429907 | 0.886076 |
91 | AP5 | 0.429907 | 0.886076 |
92 | MGV | 0.428571 | 0.904762 |
93 | P1G | 0.427273 | 0.819277 |
94 | DG | 0.425926 | 0.855422 |
95 | DGP | 0.425926 | 0.855422 |
96 | G C | 0.421053 | 0.891566 |
97 | G2Q | 0.420168 | 0.902439 |
98 | IMP | 0.416667 | 0.898734 |
99 | 01G | 0.414634 | 0.872093 |
100 | AQP | 0.414414 | 0.886076 |
101 | 5FA | 0.414414 | 0.886076 |
102 | A4P | 0.412214 | 0.862069 |
103 | HFD | 0.40708 | 0.843373 |
104 | JSQ | 0.40708 | 0.843373 |
105 | HEJ | 0.405405 | 0.886076 |
106 | ATP | 0.405405 | 0.886076 |
107 | A2D | 0.401869 | 0.886076 |
108 | APC G U | 0.4 | 0.901235 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1st0.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1st0.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5BV3 | M7G | 48.6647 |
2 | 5BV3 | M7G | 48.6647 |