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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 1 families. | |||||
1 | 1AHI | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
2 | 1FMC | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
3 | 1AHH | - | 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 4 families. | |||||
1 | 1E6W | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
2 | 1E3S | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
3 | 3A28 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
4 | 3SJU | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
5 | 1X7H | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
6 | 1W4Z | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
7 | 2RHR | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
8 | 3RI3 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
9 | 2RHC | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
10 | 1Q7B | Kd = 3.5 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
11 | 1Q7C | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
12 | 1GEG | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
13 | 4N5N | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
14 | 4QEC | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
15 | 4QED | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
16 | 3AY6 | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
17 | 3AUU | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
18 | 3AUT | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
19 | 4AG3 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
20 | 4BO2 | ic50 = 0.05 uM | 36K | C17 H18 N4 O2 | CCn1c2cccc.... |
21 | 4BNX | ic50 = 0.02 uM | O74 | C20 H14 Cl N3 O | c1ccc2c(c1.... |
22 | 4BNU | ic50 = 0.02 uM | 9KQ | C16 H11 N5 | c1ccc(cc1).... |
23 | 4BO3 | ic50 = 0.3 uM | U98 | C12 H10 F3 N3 O2 S | c1cc(cc(c1.... |
24 | 4BNZ | ic50 = 0.26 uM | 8M5 | C16 H14 N2 O | Cn1cc(c2c1.... |
25 | 4NBT | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
26 | 1IPF | - | TNE | C8 H13 N O | CN1[C@H]2C.... |
27 | 5OVK | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
28 | 1NFQ | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
29 | 6CI9 | - | F3V | C3 H7 N O | CC(=O)CN |
30 | 2ZTU | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
31 | 2ZTM | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
32 | 1X1T | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
33 | 5O72 | Ki = 23 nM | 9MH | C18 H14 F N3 O3 | c1cc(cc2c1.... |
34 | 5HS6 | - | J3Z | C18 H22 O2 | C[C@]12CC[.... |
35 | 5L7W | Ki = 11 nM | 6QU | C18 H11 F2 N O4 | c1cc(c(c(c.... |
36 | 5O6O | Ki = 58 nM | 9MB | C17 H11 F2 N O3 | c1cc(c(c(c.... |
37 | 5ICM | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
38 | 5O7C | Ki = 9 nM | 9N2 | C17 H9 F N2 O2 | c1cc(cc2c1.... |
39 | 5JS6 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
40 | 5JSF | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
41 | 4JP3 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
42 | 4NBW | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
43 | 2Q2Q | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
44 | 1DOH | Ki = 2.4 nM | NID | C9 H5 N O3 | c1cc2c(c(c.... |
45 | 4ITU | - | 1HS | C5 H12 O4 S2 | C[C@@H](CS.... |
46 | 4RF2 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
47 | 1GCO | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
48 | 1G6K | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
49 | 1GEE | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
50 | 5EPO | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
51 | 4URE | - | 1PS | C8 H11 N O3 S | c1cc[n+](c.... |
52 | 4URF | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
53 | 4OSO | - | 2V4 | C19 H14 O6 | C[C@]1(Cc2.... |
54 | 5OJI | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
55 | 4FN4 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
56 | 5WUW | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
57 | 2EWM | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
58 | 2B4Q | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
59 | 6F9Q | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
60 | 3AI2 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
61 | 1IY8 | Ki = 23.8 mM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
62 | 4CR7 | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
63 | 5ITV | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
64 | 1FMC | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
65 | 1AHH | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
66 | 5B4V | - | DXX | C4 H6 O4 | CC(C(=O)O).... |
67 | 5B4U | - | MLA | C3 H4 O4 | C(C(=O)O)C.... |
68 | 5FF9 | ic50 = 5230 uM | AEF | C8 H11 N O | c1cc(ccc1C.... |
69 | 5FFF | ic50 = 425 uM | 5XC | C8 H6 O3 | c1cc2c(cc1.... |
70 | 5THQ | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
71 | 1AE1 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
72 | 1PR9 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
73 | 1WNT | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
74 | 2BGM | - | NAJ | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
75 | 2GDZ | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
76 | 1HDC | Ki = 1 uM | CBO | C34 H50 O7 | CC1([C@@H].... |
77 | 3QWI | ic50 = 2.8 uM | CUE | C15 H8 O5 | c1cc2c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CHO | 1 | 1 |
2 | JN3 | 0.775 | 0.714286 |
3 | 5D5 | 0.761364 | 0.657143 |
4 | TUD | 0.761364 | 0.657143 |
5 | GCH | 0.642105 | 1 |
6 | 7CW | 0.62037 | 0.774194 |
7 | 7CF | 0.533333 | 0.630137 |
8 | 7C8 | 0.487395 | 0.605634 |
9 | TCH | 0.485981 | 0.666667 |
10 | 4OA | 0.479167 | 0.7 |
11 | CHD | 0.474747 | 0.714286 |
12 | CHC | 0.445545 | 0.7 |
13 | CPS | 0.433333 | 0.605263 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A3D | 0.872727 | 0.986111 |
2 | NHD | 0.821429 | 0.972222 |
3 | NAP | 0.811966 | 0.986111 |
4 | NFD | 0.791304 | 0.946667 |
5 | NXX | 0.765766 | 0.972603 |
6 | DND | 0.765766 | 0.972603 |
7 | AMP NAD | 0.74359 | 0.972222 |
8 | ZID | 0.737705 | 0.986111 |
9 | NAQ | 0.729508 | 0.934211 |
10 | NAE | 0.721311 | 0.959459 |
11 | NA0 | 0.712 | 0.972603 |
12 | TAP | 0.704 | 0.921053 |
13 | NDE | 0.689922 | 0.972603 |
14 | NAJ | 0.683333 | 0.972222 |
15 | NDC | 0.679389 | 0.934211 |
16 | NDO | 0.674603 | 0.958904 |
17 | N01 | 0.656 | 0.972222 |
18 | CNA | 0.642276 | 0.972603 |
19 | NBP | 0.621212 | 0.922078 |
20 | 8ID | 0.609756 | 0.922078 |
21 | A2D | 0.576923 | 0.958333 |
22 | ADP | 0.575472 | 0.931507 |
23 | NGD | 0.574803 | 0.922078 |
24 | BA3 | 0.566038 | 0.958333 |
25 | M33 | 0.564815 | 0.918919 |
26 | ADP PO3 | 0.563636 | 0.957747 |
27 | B4P | 0.560748 | 0.958333 |
28 | AP5 | 0.560748 | 0.958333 |
29 | AN2 | 0.555556 | 0.918919 |
30 | AT4 | 0.555556 | 0.894737 |
31 | GAP | 0.553571 | 0.932432 |
32 | OOB | 0.551724 | 0.972222 |
33 | CA0 | 0.550459 | 0.932432 |
34 | 9JJ | 0.546053 | 0.898734 |
35 | HEJ | 0.545455 | 0.931507 |
36 | ACP | 0.545455 | 0.906667 |
37 | ATP | 0.545455 | 0.931507 |
38 | DQV | 0.544 | 0.972222 |
39 | ADP ALF | 0.54386 | 0.883117 |
40 | ALF ADP | 0.54386 | 0.883117 |
41 | DAL AMP | 0.543103 | 0.945205 |
42 | APR | 0.540541 | 0.931507 |
43 | AQP | 0.540541 | 0.931507 |
44 | AR6 | 0.540541 | 0.931507 |
45 | 5FA | 0.540541 | 0.931507 |
46 | ADP VO4 | 0.53913 | 0.945205 |
47 | VO4 ADP | 0.53913 | 0.945205 |
48 | AD9 | 0.535714 | 0.906667 |
49 | SAP | 0.535714 | 0.883117 |
50 | AGS | 0.535714 | 0.883117 |
51 | WAQ | 0.533333 | 0.896104 |
52 | ABM | 0.53271 | 0.905405 |
53 | DLL | 0.529412 | 0.972222 |
54 | 00A | 0.529412 | 0.921053 |
55 | ACQ | 0.526316 | 0.906667 |
56 | NJP | 0.526316 | 0.959459 |
57 | ANP | 0.526316 | 0.906667 |
58 | OAD | 0.525 | 0.932432 |
59 | ADX | 0.522523 | 0.839506 |
60 | 5AL | 0.521739 | 0.945205 |
61 | A1R | 0.521008 | 0.871795 |
62 | 9SN | 0.520325 | 0.909091 |
63 | A | 0.518868 | 0.930556 |
64 | AMP | 0.518868 | 0.930556 |
65 | 50T | 0.517857 | 0.893333 |
66 | ATF | 0.517241 | 0.894737 |
67 | 1ZZ | 0.516393 | 0.851852 |
68 | 3OD | 0.516393 | 0.932432 |
69 | SON | 0.513514 | 0.92 |
70 | PRX | 0.513274 | 0.881579 |
71 | 6YZ | 0.512821 | 0.906667 |
72 | SRP | 0.512821 | 0.92 |
73 | 9X8 | 0.512397 | 0.883117 |
74 | ADP BMA | 0.512397 | 0.932432 |
75 | 3UK | 0.512397 | 0.958904 |
76 | MYR AMP | 0.512195 | 0.851852 |
77 | NAJ PZO | 0.510949 | 0.909091 |
78 | NMN | 0.509434 | 0.875 |
79 | A3R | 0.508333 | 0.871795 |
80 | B5V | 0.508197 | 0.945946 |
81 | AMP DBH | 0.507937 | 0.906667 |
82 | A22 | 0.504202 | 0.945205 |
83 | ATP A A A | 0.504 | 0.971831 |
84 | B5M | 0.504 | 0.933333 |
85 | FA5 | 0.504 | 0.945946 |
86 | 8QN | 0.5 | 0.945205 |
87 | NAX | 0.496183 | 0.886076 |
88 | TYR AMP | 0.496063 | 0.933333 |
89 | PR8 | 0.495935 | 0.8625 |
90 | AMO | 0.495868 | 0.92 |
91 | ADQ | 0.495868 | 0.932432 |
92 | 4AD | 0.495868 | 0.933333 |
93 | PAJ | 0.495868 | 0.873418 |
94 | A12 | 0.495495 | 0.894737 |
95 | AP2 | 0.495495 | 0.894737 |
96 | AHZ | 0.492308 | 0.851852 |
97 | YAP | 0.492063 | 0.933333 |
98 | FYA | 0.491935 | 0.918919 |
99 | AHX | 0.491803 | 0.884615 |
100 | 4UU | 0.488372 | 0.933333 |
101 | 5SV | 0.487603 | 0.8375 |
102 | TAT | 0.487179 | 0.894737 |
103 | T99 | 0.487179 | 0.894737 |
104 | APC | 0.486957 | 0.894737 |
105 | SRA | 0.486239 | 0.881579 |
106 | 6V0 | 0.484848 | 0.909091 |
107 | NAI | 0.484848 | 0.921053 |
108 | GTA | 0.484615 | 0.898734 |
109 | A A | 0.483871 | 0.958333 |
110 | LAD | 0.483871 | 0.873418 |
111 | AU1 | 0.482456 | 0.906667 |
112 | F2R | 0.481752 | 0.831325 |
113 | OMR | 0.481203 | 0.841463 |
114 | TXE | 0.481203 | 0.921053 |
115 | AF3 ADP 3PG | 0.481203 | 0.873418 |
116 | LAQ | 0.480916 | 0.851852 |
117 | G3A | 0.48062 | 0.909091 |
118 | B5Y | 0.480315 | 0.933333 |
119 | NB8 | 0.48 | 0.884615 |
120 | TXA | 0.48 | 0.92 |
121 | BIS | 0.48 | 0.871795 |
122 | ME8 | 0.48 | 0.851852 |
123 | PTJ | 0.48 | 0.884615 |
124 | 139 | 0.477941 | 0.886076 |
125 | LPA AMP | 0.477273 | 0.851852 |
126 | AFH | 0.476923 | 0.873418 |
127 | AR6 AR6 | 0.476923 | 0.958333 |
128 | G5P | 0.476923 | 0.909091 |
129 | ARG AMP | 0.476923 | 0.841463 |
130 | 25L | 0.47619 | 0.945205 |
131 | NAJ PYZ | 0.475524 | 0.864198 |
132 | 25A | 0.47541 | 0.958333 |
133 | 9ZA | 0.47541 | 0.896104 |
134 | 9ZD | 0.47541 | 0.896104 |
135 | DZD | 0.47482 | 0.897436 |
136 | TXD | 0.473684 | 0.921053 |
137 | 4UV | 0.472868 | 0.933333 |
138 | TYM | 0.470149 | 0.945946 |
139 | RBY | 0.470085 | 0.894737 |
140 | ADV | 0.470085 | 0.894737 |
141 | 4TA | 0.467626 | 0.864198 |
142 | 48N | 0.466165 | 0.884615 |
143 | XAH | 0.465116 | 0.851852 |
144 | 4UW | 0.462687 | 0.897436 |
145 | M24 | 0.461538 | 0.886076 |
146 | 80F | 0.460993 | 0.853659 |
147 | IOT | 0.459854 | 0.821429 |
148 | T5A | 0.456522 | 0.853659 |
149 | EAD | 0.455782 | 0.886076 |
150 | MAP | 0.455285 | 0.883117 |
151 | GA7 | 0.454545 | 0.894737 |
152 | BT5 | 0.453901 | 0.821429 |
153 | A4P | 0.452555 | 0.833333 |
154 | UP5 | 0.451852 | 0.933333 |
155 | PAP | 0.445378 | 0.917808 |
156 | 4TC | 0.445255 | 0.909091 |
157 | AP0 | 0.445255 | 0.884615 |
158 | YLP | 0.444444 | 0.831325 |
159 | P1H | 0.443709 | 0.864198 |
160 | AOC | 0.442478 | 0.810811 |
161 | Z5A | 0.439189 | 0.833333 |
162 | LMS | 0.4375 | 0.817073 |
163 | 2A5 | 0.436975 | 0.857143 |
164 | A G | 0.43662 | 0.921053 |
165 | G A A A | 0.43662 | 0.909091 |
166 | COD | 0.43662 | 0.802326 |
167 | ADJ | 0.435714 | 0.841463 |
168 | YLB | 0.434783 | 0.831325 |
169 | YLC | 0.434783 | 0.851852 |
170 | U A G G | 0.433566 | 0.921053 |
171 | ATR | 0.433333 | 0.90411 |
172 | 7MD | 0.432836 | 0.851852 |
173 | 8X1 | 0.432 | 0.764045 |
174 | G5A | 0.429752 | 0.790698 |
175 | PO4 PO4 A A A A PO4 | 0.429688 | 0.943662 |
176 | TAD | 0.42963 | 0.873418 |
177 | 5AS | 0.42735 | 0.770115 |
178 | BTX | 0.426573 | 0.831325 |
179 | YLA | 0.425532 | 0.831325 |
180 | DSZ | 0.425197 | 0.790698 |
181 | NCN | 0.424779 | 0.805556 |
182 | UPA | 0.42446 | 0.921053 |
183 | 8PZ | 0.424242 | 0.811765 |
184 | VMS | 0.424 | 0.8 |
185 | 54H | 0.424 | 0.8 |
186 | 9K8 | 0.423077 | 0.744444 |
187 | N0B | 0.422819 | 0.853659 |
188 | 6AD | 0.422764 | 0.85 |
189 | AYB | 0.422535 | 0.821429 |
190 | 7D3 | 0.422414 | 0.844156 |
191 | YLY | 0.421769 | 0.821429 |
192 | TSB | 0.420635 | 0.809524 |
193 | ODP | 0.41958 | 0.922078 |
194 | AV2 | 0.419355 | 0.855263 |
195 | FB0 | 0.419355 | 0.775281 |
196 | A5A | 0.419355 | 0.819277 |
197 | NNR | 0.419048 | 0.739726 |
198 | A A A | 0.418605 | 0.918919 |
199 | U A | 0.417808 | 0.946667 |
200 | 649 | 0.417266 | 0.775281 |
201 | NMN AMP PO4 | 0.416667 | 0.933333 |
202 | SSA | 0.416 | 0.790698 |
203 | P5A | 0.415385 | 0.755556 |
204 | LSS | 0.414062 | 0.772727 |
205 | A2R | 0.412698 | 0.918919 |
206 | 52H | 0.412698 | 0.790698 |
207 | JB6 | 0.412214 | 0.896104 |
208 | 5N5 | 0.411215 | 0.783784 |
209 | YSA | 0.410448 | 0.811765 |
210 | 53H | 0.409449 | 0.790698 |
211 | 5CA | 0.409449 | 0.790698 |
212 | ITT | 0.408333 | 0.878378 |
213 | 7D4 | 0.408333 | 0.844156 |
214 | NA7 | 0.407692 | 0.894737 |
215 | LEU LMS | 0.407692 | 0.784091 |
216 | 5CD | 0.407407 | 0.794521 |
217 | 0WD | 0.406897 | 0.909091 |
218 | A3P | 0.40678 | 0.930556 |
219 | HFD | 0.406504 | 0.883117 |
220 | AVV | 0.40625 | 0.860759 |
221 | RAB | 0.40566 | 0.808219 |
222 | XYA | 0.40566 | 0.808219 |
223 | ADN | 0.40566 | 0.808219 |
224 | FDA | 0.405063 | 0.823529 |
225 | GSU | 0.40458 | 0.790698 |
226 | 7MC | 0.404255 | 0.831325 |
227 | NSS | 0.403101 | 0.811765 |
228 | 6FA | 0.402516 | 0.853659 |
229 | PPS | 0.4 | 0.817073 |
230 | NVA LMS | 0.4 | 0.784091 |