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- 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 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 | 1ISI | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
2 | 1ISJ | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
3 | 1ISH | - | ENP | C17 H24 N5 O17 P3 | c1cn2cnc3c.... |
4 | 3I9L | - | N1C | C15 H20 N4 O14 P2 | c1nc2c3n1[.... |
5 | 1R15 | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
6 | 3ZWO | - | NGD | C21 H28 N7 O15 P2 | c1cc(c[n+].... |
7 | 3ZWN | - | NGD | C21 H28 N7 O15 P2 | c1cc(c[n+].... |
8 | 3I9K | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
9 | 1R16 | - | PYF | C6 H7 N O | c1cc(cnc1).... |
10 | 3ZWM | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
11 | 3I9J | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
12 | 4OGW | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
13 | 3ROP | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
14 | 3DZG | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
15 | 2HCT | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
16 | 2I66 | - | G1R G1R | n/a | n/a |
17 | 2O3S | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
18 | 3DZI | - | RGT | C15 H25 N5 O21 P4 | c1nc2c(n1[.... |
19 | 2I67 | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
20 | 3DZK | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
21 | 3DZH | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
22 | 4TMF | - | JS2 | C14 H23 N5 O12 P2 | C1=Nc2c(nc.... |
23 | 2PGJ | ic50 = 0.26 mM | N1C | C15 H20 N4 O14 P2 | c1nc2c3n1[.... |
24 | 3DZJ | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
25 | 2O3Q | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
26 | 2O3T | - | CGR | C15 H23 N5 O14 P2 | C1[C@@H]2[.... |
27 | 2I65 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | G1R | 1 | 1 |
2 | GP3 | 0.860759 | 0.961039 |
3 | GDP | 0.82716 | 0.986667 |
4 | GTP | 0.819277 | 0.986667 |
5 | GNH | 0.817073 | 0.973684 |
6 | GSP | 0.8 | 0.936709 |
7 | G2R | 0.795455 | 0.948718 |
8 | GCP | 0.788235 | 0.961039 |
9 | 9GM | 0.77907 | 0.961039 |
10 | GNP | 0.77907 | 0.961039 |
11 | G | 0.765432 | 0.973333 |
12 | 5GP | 0.765432 | 0.973333 |
13 | GMV | 0.755814 | 0.961039 |
14 | GDD | 0.734043 | 0.974026 |
15 | GDC | 0.734043 | 0.974026 |
16 | Y9Z | 0.734043 | 0.891566 |
17 | GKE | 0.734043 | 0.974026 |
18 | GDR | 0.726316 | 0.974026 |
19 | GFB | 0.726316 | 0.974026 |
20 | GP2 | 0.72093 | 0.948718 |
21 | 6CK | 0.71875 | 0.949367 |
22 | GTG | 0.708333 | 0.925 |
23 | JB2 | 0.704082 | 0.974026 |
24 | GKD | 0.704082 | 0.974026 |
25 | GAV | 0.703297 | 0.948718 |
26 | G3A | 0.701031 | 0.961039 |
27 | G2P | 0.7 | 0.948718 |
28 | GDX | 0.69697 | 0.986842 |
29 | GPD | 0.69697 | 0.9375 |
30 | G5P | 0.693878 | 0.961039 |
31 | GPG | 0.691489 | 0.948718 |
32 | GDP BEF | 0.688889 | 0.923077 |
33 | GTP MG | 0.681319 | 0.947368 |
34 | ALF 5GP | 0.677778 | 0.878049 |
35 | YGP | 0.670103 | 0.890244 |
36 | JB3 | 0.663462 | 0.961538 |
37 | NGD | 0.657143 | 0.948718 |
38 | 2MD | 0.654206 | 0.880952 |
39 | GDP ALF | 0.652632 | 0.878049 |
40 | GDP AF3 | 0.652632 | 0.878049 |
41 | R7I | 0.648352 | 0.96 |
42 | R5I | 0.648352 | 0.96 |
43 | MGD | 0.636364 | 0.880952 |
44 | GMP | 0.62963 | 0.868421 |
45 | G3D | 0.610526 | 0.973333 |
46 | CAG | 0.607143 | 0.870588 |
47 | 0O2 | 0.606061 | 0.973333 |
48 | KB7 | 0.602151 | 0.839506 |
49 | MD1 | 0.6 | 0.880952 |
50 | PGD | 0.6 | 0.91358 |
51 | G4P | 0.597938 | 0.973333 |
52 | FEG | 0.59633 | 0.891566 |
53 | U2G | 0.59633 | 0.925 |
54 | GDP 7MG | 0.596154 | 0.9 |
55 | ZGP | 0.590909 | 0.858824 |
56 | G1R G1R | 0.589744 | 0.936709 |
57 | CG2 | 0.585586 | 0.925 |
58 | TPG | 0.576271 | 0.831461 |
59 | KBD | 0.574257 | 0.839506 |
60 | 3GP | 0.566667 | 0.934211 |
61 | DBG | 0.563025 | 0.936709 |
62 | GH3 | 0.555556 | 0.960526 |
63 | G4M | 0.555556 | 0.892857 |
64 | KBJ | 0.552381 | 0.809524 |
65 | FE9 | 0.550847 | 0.768421 |
66 | APR | 0.542553 | 0.907895 |
67 | AR6 | 0.542553 | 0.907895 |
68 | DGT | 0.535354 | 0.911392 |
69 | 2GP | 0.532609 | 0.947368 |
70 | GPX | 0.529412 | 0.934211 |
71 | DGI | 0.525773 | 0.911392 |
72 | IDP | 0.520833 | 0.96 |
73 | QBQ | 0.520408 | 0.973333 |
74 | I2C FE2 CMO CMO | 0.512397 | 0.8 |
75 | G1G | 0.504132 | 0.91358 |
76 | BGO | 0.5 | 0.936709 |
77 | MGP | 0.5 | 0.948718 |
78 | PGD O | 0.496 | 0.840909 |
79 | G2Q | 0.495238 | 0.948718 |
80 | 6G0 | 0.49505 | 0.948718 |
81 | P2G | 0.489583 | 0.896104 |
82 | GGM | 0.487395 | 0.91358 |
83 | AKW | 0.487179 | 0.879518 |
84 | P1G | 0.479592 | 0.884615 |
85 | DGP | 0.479167 | 0.898734 |
86 | DG | 0.479167 | 0.898734 |
87 | IMP | 0.46875 | 0.946667 |
88 | A2D | 0.468085 | 0.883117 |
89 | CZF | 0.465347 | 0.921053 |
90 | GTA | 0.464912 | 0.925 |
91 | GPC | 0.463415 | 0.869048 |
92 | G C | 0.46281 | 0.888889 |
93 | 5GP 5GP | 0.45098 | 0.871795 |
94 | G7M | 0.44898 | 0.935897 |
95 | BA3 | 0.443299 | 0.883117 |
96 | AP5 | 0.438776 | 0.883117 |
97 | B4P | 0.438776 | 0.883117 |
98 | AT4 | 0.434343 | 0.873418 |
99 | 01G | 0.433628 | 0.891566 |
100 | RBY | 0.431373 | 0.873418 |
101 | ADV | 0.431373 | 0.873418 |
102 | SGP | 0.43 | 0.817073 |
103 | M33 | 0.43 | 0.871795 |
104 | PCG | 0.427184 | 0.921053 |
105 | C2E | 0.427184 | 0.909091 |
106 | 35G | 0.427184 | 0.921053 |
107 | APC G U | 0.426357 | 0.875 |
108 | ATP | 0.425743 | 0.907895 |
109 | HEJ | 0.425743 | 0.907895 |
110 | GZ0 | 0.425 | 0.961538 |
111 | ADP | 0.424242 | 0.907895 |
112 | ANP | 0.423077 | 0.884615 |
113 | A1R | 0.422018 | 0.829268 |
114 | 5FA | 0.421569 | 0.907895 |
115 | AQP | 0.421569 | 0.907895 |
116 | A2R | 0.420561 | 0.921053 |
117 | AN2 | 0.42 | 0.896104 |
118 | 3OD | 0.419643 | 0.909091 |
119 | AD9 | 0.417476 | 0.884615 |
120 | AGS | 0.417476 | 0.8625 |
121 | 9X8 | 0.414414 | 0.8625 |
122 | OAD | 0.414414 | 0.909091 |
123 | JSQ | 0.413462 | 0.8625 |
124 | HFD | 0.413462 | 0.8625 |
125 | AVV | 0.412844 | 0.819277 |
126 | AGO | 0.412698 | 0.901235 |
127 | ACP | 0.411765 | 0.884615 |
128 | MGO | 0.411215 | 0.853659 |
129 | ACQ | 0.409524 | 0.884615 |
130 | A3R | 0.409091 | 0.829268 |
131 | ADQ | 0.409091 | 0.884615 |
132 | MGQ | 0.409091 | 0.924051 |
133 | HQG | 0.407407 | 0.921053 |
134 | A4P | 0.406504 | 0.858824 |
135 | UCG | 0.406015 | 0.9 |
136 | JNT | 0.405405 | 0.860759 |
137 | JBT | 0.404624 | 0.789474 |
138 | A22 | 0.40367 | 0.896104 |
139 | M7G A2M G | 0.402597 | 0.8 |
140 | CA0 | 0.401961 | 0.909091 |
141 | ITT | 0.401961 | 0.857143 |
142 | ATF | 0.401869 | 0.873418 |
143 | ENP | 0.401786 | 0.934211 |
144 | NYZ | 0.4 | 0.924051 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | G1R G1R | 1 | 1 |
2 | GDP BEF | 0.617391 | 0.9125 |
3 | GTP MG | 0.612069 | 0.935897 |
4 | GDP ALF | 0.591667 | 0.869048 |
5 | GDP AF3 | 0.591667 | 0.869048 |
6 | G1R | 0.589744 | 0.936709 |
7 | GDP 7MG | 0.5625 | 0.9375 |
8 | ALF 5GP | 0.554622 | 0.869048 |
9 | RGT | 0.543307 | 0.911392 |
10 | GDP | 0.542373 | 0.924051 |
11 | 5GP | 0.525862 | 0.911392 |
12 | G | 0.525862 | 0.911392 |
13 | GNH | 0.525 | 0.9125 |
14 | PGD O | 0.524138 | 0.833333 |
15 | GP3 | 0.521008 | 0.949367 |
16 | GNP | 0.520325 | 0.901235 |
17 | 9GM | 0.520325 | 0.901235 |
18 | GDD | 0.515385 | 0.9375 |
19 | GDC | 0.515385 | 0.9375 |
20 | GKE | 0.515385 | 0.9375 |
21 | GSP | 0.508065 | 0.879518 |
22 | G3A | 0.507576 | 0.949367 |
23 | GP2 | 0.504132 | 0.890244 |
24 | GTP | 0.504065 | 0.924051 |
25 | G5P | 0.503759 | 0.949367 |
26 | GCP | 0.5 | 0.901235 |
27 | GDX | 0.496296 | 0.949367 |
28 | G2P | 0.496 | 0.890244 |
29 | GMV | 0.491935 | 0.901235 |
30 | GDR | 0.488722 | 0.9375 |
31 | GFB | 0.488722 | 0.9375 |
32 | G2R | 0.488372 | 0.890244 |
33 | GAV | 0.488189 | 0.890244 |
34 | 6CK | 0.485075 | 0.914634 |
35 | JB2 | 0.477941 | 0.9375 |
36 | I2C FE2 CMO CMO | 0.47619 | 0.813187 |
37 | Y9Z | 0.470149 | 0.83908 |
38 | JB3 | 0.468085 | 0.925926 |
39 | GKD | 0.467153 | 0.9375 |
40 | GTG | 0.466667 | 0.938272 |
41 | 2MD | 0.465278 | 0.850575 |
42 | GPD | 0.463768 | 0.903614 |
43 | GPG | 0.462121 | 0.9375 |
44 | YGP | 0.451852 | 0.858824 |
45 | G3D | 0.449612 | 0.911392 |
46 | MGD | 0.445946 | 0.850575 |
47 | M7G A2M G | 0.445087 | 0.833333 |
48 | GMP | 0.443478 | 0.835443 |
49 | KB7 | 0.440945 | 0.809524 |
50 | FEG | 0.434483 | 0.904762 |
51 | NGD | 0.434483 | 0.962025 |
52 | 3GP | 0.434426 | 0.875 |
53 | APC G U | 0.434211 | 0.9125 |
54 | G4P | 0.431818 | 0.911392 |
55 | ZGP | 0.431507 | 0.872093 |
56 | KBD | 0.42963 | 0.853659 |
57 | G C | 0.425676 | 0.902439 |
58 | MD1 | 0.424837 | 0.850575 |
59 | U2G | 0.424658 | 0.891566 |
60 | ENQ | 0.422222 | 0.871795 |
61 | G4M | 0.419753 | 0.905882 |
62 | DBG | 0.419355 | 0.925926 |
63 | AR6 AR6 | 0.41844 | 0.897436 |
64 | KBJ | 0.417266 | 0.823529 |
65 | CAG | 0.417219 | 0.883721 |
66 | BEF ADP | 0.414062 | 0.85 |
67 | CG2 | 0.409396 | 0.891566 |
68 | 0O2 | 0.408759 | 0.911392 |
69 | VO4 ADP | 0.40458 | 0.851852 |
70 | FE9 | 0.4 | 0.762887 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | G2R | 1 | 1 |
2 | GP3 | 0.8 | 0.936709 |
3 | G1R | 0.795455 | 0.948718 |
4 | GDP | 0.770115 | 0.961039 |
5 | GTP | 0.764045 | 0.961039 |
6 | GNH | 0.761364 | 0.948718 |
7 | 9GM | 0.747253 | 0.936709 |
8 | GNP | 0.747253 | 0.936709 |
9 | GSP | 0.747253 | 0.91358 |
10 | GCP | 0.736264 | 0.961538 |
11 | 5GP | 0.712644 | 0.948052 |
12 | G | 0.712644 | 0.948052 |
13 | Y9Z | 0.707071 | 0.892857 |
14 | GMV | 0.706522 | 0.936709 |
15 | 6CK | 0.676471 | 0.902439 |
16 | GP2 | 0.673913 | 0.974359 |
17 | G2P | 0.673684 | 0.974359 |
18 | GDD | 0.673267 | 0.925 |
19 | GDC | 0.673267 | 0.925 |
20 | GKE | 0.673267 | 0.925 |
21 | GPD | 0.673077 | 0.914634 |
22 | GTG | 0.666667 | 0.902439 |
23 | GFB | 0.666667 | 0.925 |
24 | GDR | 0.666667 | 0.925 |
25 | GPG | 0.666667 | 0.925 |
26 | G3A | 0.660194 | 0.936709 |
27 | GAV | 0.659794 | 0.925 |
28 | G5P | 0.653846 | 0.936709 |
29 | NGD | 0.651376 | 0.925 |
30 | JB2 | 0.647619 | 0.925 |
31 | GKD | 0.647619 | 0.925 |
32 | G2Q | 0.646465 | 1 |
33 | GDP BEF | 0.645833 | 0.9 |
34 | GDX | 0.641509 | 0.936709 |
35 | GTP MG | 0.639175 | 0.923077 |
36 | ALF 5GP | 0.635417 | 0.857143 |
37 | YGP | 0.631068 | 0.869048 |
38 | JB3 | 0.627273 | 0.91358 |
39 | GDP ALF | 0.613861 | 0.857143 |
40 | GDP AF3 | 0.613861 | 0.857143 |
41 | 2MD | 0.605263 | 0.860465 |
42 | U2G | 0.59292 | 0.902439 |
43 | MGD | 0.589744 | 0.860465 |
44 | GMP | 0.586207 | 0.846154 |
45 | KB7 | 0.581633 | 0.819277 |
46 | FEG | 0.578947 | 0.870588 |
47 | CAG | 0.576271 | 0.850575 |
48 | G3D | 0.574257 | 0.948052 |
49 | 0O2 | 0.571429 | 0.948052 |
50 | MD1 | 0.570248 | 0.882353 |
51 | PGD | 0.570248 | 0.891566 |
52 | CG2 | 0.568965 | 0.902439 |
53 | GDP 7MG | 0.563636 | 0.878049 |
54 | G4P | 0.563107 | 0.948052 |
55 | DBG | 0.560976 | 0.91358 |
56 | TPG | 0.560976 | 0.813187 |
57 | ZGP | 0.560345 | 0.860465 |
58 | GH3 | 0.553398 | 0.961039 |
59 | AVV | 0.553398 | 0.865854 |
60 | KBD | 0.542056 | 0.819277 |
61 | FE9 | 0.536585 | 0.752577 |
62 | DGT | 0.533981 | 0.961538 |
63 | 3GP | 0.53125 | 0.910256 |
64 | DGI | 0.524752 | 0.961538 |
65 | KBJ | 0.522523 | 0.811765 |
66 | G4M | 0.518797 | 0.872093 |
67 | R7I | 0.514563 | 0.910256 |
68 | R5I | 0.514563 | 0.910256 |
69 | GPX | 0.514019 | 0.910256 |
70 | I2C FE2 CMO CMO | 0.5 | 0.782609 |
71 | 2GP | 0.5 | 0.923077 |
72 | QBQ | 0.490385 | 0.948052 |
73 | IDP | 0.490196 | 0.935065 |
74 | G1R G1R | 0.488372 | 0.890244 |
75 | BGO | 0.487603 | 0.890244 |
76 | G1G | 0.480315 | 0.891566 |
77 | DGP | 0.48 | 0.948718 |
78 | DG | 0.48 | 0.948718 |
79 | GGM | 0.475806 | 0.869048 |
80 | PGD O | 0.473282 | 0.822222 |
81 | MGP | 0.471698 | 0.925 |
82 | 6G0 | 0.46729 | 0.925 |
83 | P1G | 0.466019 | 0.8625 |
84 | AKW | 0.463415 | 0.858824 |
85 | P2G | 0.460784 | 0.85 |
86 | PCG | 0.457143 | 0.897436 |
87 | C2E | 0.457143 | 0.886076 |
88 | 35G | 0.457143 | 0.897436 |
89 | GPC | 0.453125 | 0.848837 |
90 | NA7 | 0.442478 | 0.923077 |
91 | GTA | 0.441667 | 0.902439 |
92 | IMP | 0.441176 | 0.922078 |
93 | G C | 0.440945 | 0.86747 |
94 | A2D | 0.44 | 0.860759 |
95 | 5GP 5GP | 0.439252 | 0.85 |
96 | CZF | 0.439252 | 0.897436 |
97 | A1R | 0.424779 | 0.876543 |
98 | APR | 0.424528 | 0.860759 |
99 | AR6 | 0.424528 | 0.860759 |
100 | G7M | 0.423077 | 0.9125 |
101 | UCG | 0.419118 | 0.878049 |
102 | APC G U | 0.41791 | 0.876543 |
103 | BA3 | 0.417476 | 0.860759 |
104 | B4P | 0.413462 | 0.860759 |
105 | AP5 | 0.413462 | 0.860759 |
106 | ANP | 0.412844 | 0.8625 |
107 | 01G | 0.411765 | 0.915663 |
108 | AT4 | 0.409524 | 0.851852 |
109 | SGP | 0.40566 | 0.797619 |
110 | M7G A2M G | 0.405063 | 0.782609 |
111 | GZ0 | 0.404762 | 0.9375 |
112 | HEJ | 0.401869 | 0.884615 |
113 | ATP | 0.401869 | 0.884615 |
114 | CGP | 0.4 | 0.903614 |
115 | ADP | 0.4 | 0.884615 |
116 | A3R | 0.4 | 0.876543 |
No: | Ligand | Similarity coefficient |
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No: | Ligand | Similarity coefficient |
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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 |