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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 3 families. | |||||
1 | 2O3R | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
2 | 2O3U | - | NGD | C21 H28 N7 O15 P2 | c1cc(c[n+].... |
3 | 2PGL | - | N1C | C15 H20 N4 O14 P2 | c1nc2c3n1[.... |
4 | 4OGW | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
5 | 3ROP | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
6 | 3DZG | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
7 | 2HCT | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
8 | 2I66 | - | G1R G1R | n/a | n/a |
9 | 2O3S | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
10 | 3DZI | - | RGT | C15 H25 N5 O21 P4 | c1nc2c(n1[.... |
11 | 2I67 | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
12 | 3DZK | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
13 | 3DZH | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
14 | 4TMF | - | JS2 | C14 H23 N5 O12 P2 | C1=Nc2c(nc.... |
15 | 2PGJ | ic50 = 0.26 mM | N1C | C15 H20 N4 O14 P2 | c1nc2c3n1[.... |
16 | 3DZJ | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
17 | 2O3Q | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
18 | 2O3T | - | CGR | C15 H23 N5 O14 P2 | C1[C@@H]2[.... |
19 | 2I65 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2O3R | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
2 | 2O3U | - | NGD | C21 H28 N7 O15 P2 | c1cc(c[n+].... |
3 | 2PGL | - | N1C | C15 H20 N4 O14 P2 | c1nc2c3n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NGD | 1 | 1 |
2 | GP3 | 0.673267 | 0.987013 |
3 | G1R | 0.657143 | 0.948718 |
4 | G2R | 0.651376 | 0.925 |
5 | GDP | 0.650485 | 0.961039 |
6 | GTP | 0.647619 | 0.961039 |
7 | GNH | 0.644231 | 0.948718 |
8 | GSP | 0.635514 | 0.91358 |
9 | GCP | 0.626168 | 0.936709 |
10 | Y9Z | 0.622807 | 0.870588 |
11 | GNP | 0.62037 | 0.936709 |
12 | 9GM | 0.62037 | 0.936709 |
13 | GTG | 0.617391 | 0.974684 |
14 | G | 0.601942 | 0.948052 |
15 | 5GP | 0.601942 | 0.948052 |
16 | GMV | 0.601852 | 0.936709 |
17 | GDX | 0.583333 | 0.961538 |
18 | GKE | 0.581197 | 0.949367 |
19 | GDD | 0.581197 | 0.949367 |
20 | GDC | 0.581197 | 0.949367 |
21 | GDR | 0.576271 | 0.949367 |
22 | GFB | 0.576271 | 0.949367 |
23 | GKD | 0.575 | 0.949367 |
24 | NAD | 0.574803 | 0.922078 |
25 | GP2 | 0.574074 | 0.925 |
26 | JB3 | 0.572581 | 0.9375 |
27 | 6CK | 0.571429 | 0.925926 |
28 | G3A | 0.571429 | 0.987013 |
29 | GPD | 0.570248 | 0.914634 |
30 | G5P | 0.566667 | 0.987013 |
31 | GAV | 0.566372 | 0.925 |
32 | NFD | 0.565891 | 0.876543 |
33 | G2P | 0.5625 | 0.925 |
34 | NHD | 0.5625 | 0.897436 |
35 | JB2 | 0.561983 | 0.949367 |
36 | DND | 0.560976 | 0.923077 |
37 | GPG | 0.560345 | 0.974359 |
38 | GDP BEF | 0.553571 | 0.924051 |
39 | DBG | 0.552239 | 0.962025 |
40 | 8ID | 0.552 | 0.901235 |
41 | GTP MG | 0.548673 | 0.948052 |
42 | NAJ | 0.546875 | 0.922078 |
43 | YGP | 0.546219 | 0.891566 |
44 | ALF 5GP | 0.544643 | 0.879518 |
45 | 2MD | 0.542636 | 0.882353 |
46 | MGD | 0.541985 | 0.882353 |
47 | NAD IBO | 0.539683 | 0.909091 |
48 | NAD TDB | 0.539683 | 0.909091 |
49 | A7R | 0.532787 | 0.8625 |
50 | FEG | 0.53125 | 0.892857 |
51 | CAG | 0.530303 | 0.916667 |
52 | GDP AF3 | 0.529915 | 0.879518 |
53 | GDP ALF | 0.529915 | 0.879518 |
54 | GDP 7MG | 0.528455 | 0.949367 |
55 | ZGP | 0.527132 | 0.882353 |
56 | CG2 | 0.523077 | 0.925926 |
57 | MD1 | 0.514706 | 0.882353 |
58 | PGD | 0.514706 | 0.914634 |
59 | NMN | 0.514563 | 0.831169 |
60 | KB7 | 0.513274 | 0.797619 |
61 | G3D | 0.508621 | 0.948052 |
62 | KBD | 0.508333 | 0.841463 |
63 | 0O2 | 0.508333 | 0.948052 |
64 | U2G | 0.507692 | 0.925926 |
65 | TPG | 0.507246 | 0.833333 |
66 | G4P | 0.5 | 0.948052 |
67 | A3D | 0.496296 | 0.910256 |
68 | GMP | 0.495146 | 0.846154 |
69 | KBJ | 0.491935 | 0.811765 |
70 | NAP | 0.485714 | 0.935065 |
71 | FE9 | 0.485507 | 0.789474 |
72 | GH3 | 0.478992 | 0.935897 |
73 | NDO | 0.478571 | 0.910256 |
74 | 3GP | 0.468468 | 0.910256 |
75 | G1G | 0.467626 | 0.9625 |
76 | CNA | 0.466667 | 0.923077 |
77 | BGO | 0.462687 | 0.9375 |
78 | QBQ | 0.461538 | 0.948052 |
79 | AMP NAD | 0.459854 | 0.897436 |
80 | NBP | 0.458333 | 0.901235 |
81 | G4M | 0.453333 | 0.894118 |
82 | GGM | 0.452555 | 0.914634 |
83 | DGT | 0.45 | 0.888889 |
84 | GPX | 0.447154 | 0.910256 |
85 | MGP | 0.445378 | 0.949367 |
86 | I2C FE2 CMO CMO | 0.443662 | 0.822222 |
87 | 6G0 | 0.441667 | 0.949367 |
88 | DGI | 0.440678 | 0.888889 |
89 | G1R G1R | 0.434483 | 0.962025 |
90 | R7I | 0.433333 | 0.910256 |
91 | R5I | 0.433333 | 0.910256 |
92 | PGD O | 0.431507 | 0.863636 |
93 | AKW | 0.430657 | 0.926829 |
94 | 2GP | 0.429825 | 0.923077 |
95 | ZID | 0.424658 | 0.935065 |
96 | IDP | 0.423729 | 0.935065 |
97 | NNR | 0.421569 | 0.705128 |
98 | G C | 0.421429 | 0.91358 |
99 | GTA | 0.421053 | 0.974684 |
100 | G2Q | 0.420635 | 0.925 |
101 | NA0 | 0.418919 | 0.923077 |
102 | 9JJ | 0.417178 | 0.879518 |
103 | NCN | 0.414414 | 0.74359 |
104 | GPC | 0.412587 | 0.870588 |
105 | TAP | 0.412162 | 0.876543 |
106 | N01 | 0.409722 | 0.897436 |
107 | NAQ | 0.408163 | 0.888889 |
108 | DG | 0.401709 | 0.876543 |
109 | G7M | 0.401709 | 0.936709 |
110 | DGP | 0.401709 | 0.876543 |
111 | NAE | 0.401361 | 0.911392 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 2pgj.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |