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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 2 families. | |||||
1 | 4XWR | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
2 | 1N1P | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
3 | 1CBO | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
4 | 3GYI | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
5 | 1IJH | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
6 | 4U2T | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
7 | 3CNJ | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
8 | 1N4U | - | FAE | C27 H34 N9 O15 P2 | Cc1cc2c(cc.... |
9 | 1B4V | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
10 | 1N4W | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
11 | 3GYJ | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
12 | 1B8S | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
13 | 1CC2 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
14 | 4REK | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
15 | 4U2L | - | SFD | C27 H35 N9 O18 P2 S | Cc1cc2c(cc.... |
16 | 4U2S | - | FDA | C27 H35 N9 O15 P2 | Cc1cc2c(cc.... |
17 | 3B6D | - | FAE | C27 H34 N9 O15 P2 | Cc1cc2c(cc.... |
18 | 4XXG | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
19 | 1MXT | - | FAE | C27 H34 N9 O15 P2 | Cc1cc2c(cc.... |
20 | 2GEW | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
21 | 1N4V | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
22 | 3B3R | - | FAE | C27 H34 N9 O15 P2 | Cc1cc2c(cc.... |
23 | 1COY | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
24 | 3COX | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4XWR | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
2 | 1N1P | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
3 | 1CBO | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
4 | 3GYI | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
5 | 1IJH | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
6 | 4U2T | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
7 | 3CNJ | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
8 | 1N4U | - | FAE | C27 H34 N9 O15 P2 | Cc1cc2c(cc.... |
9 | 1B4V | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
10 | 1N4W | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
11 | 3GYJ | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
12 | 1B8S | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
13 | 1CC2 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
14 | 4REK | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
15 | 4U2L | - | SFD | C27 H35 N9 O18 P2 S | Cc1cc2c(cc.... |
16 | 4U2S | - | FDA | C27 H35 N9 O15 P2 | Cc1cc2c(cc.... |
17 | 3B6D | - | FAE | C27 H34 N9 O15 P2 | Cc1cc2c(cc.... |
18 | 4XXG | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
19 | 1MXT | - | FAE | C27 H34 N9 O15 P2 | Cc1cc2c(cc.... |
20 | 2GEW | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
21 | 1N4V | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
22 | 3B3R | - | FAE | C27 H34 N9 O15 P2 | Cc1cc2c(cc.... |
23 | 1COY | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
24 | 3COX | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FAD | 1 | 1 |
2 | FAS | 1 | 1 |
3 | FAY | 0.859259 | 0.9875 |
4 | RFL | 0.852941 | 0.963855 |
5 | 6FA | 0.794118 | 0.987654 |
6 | FAE | 0.751773 | 0.987654 |
7 | SFD | 0.651007 | 0.860215 |
8 | FDA | 0.641892 | 0.906977 |
9 | FNK | 0.602564 | 0.876405 |
10 | 62F | 0.572327 | 0.939024 |
11 | F2N | 0.566265 | 0.886364 |
12 | FMN | 0.543307 | 0.876543 |
13 | FA9 | 0.526316 | 0.939759 |
14 | 6YU | 0.516304 | 0.860215 |
15 | P6G FDA | 0.511628 | 0.908046 |
16 | FAD NBT | 0.508876 | 0.83871 |
17 | A2D | 0.504065 | 0.875 |
18 | P5F | 0.491329 | 0.941176 |
19 | FAD CNX | 0.488506 | 0.8125 |
20 | AR6 | 0.488372 | 0.851852 |
21 | APR | 0.488372 | 0.851852 |
22 | AGS | 0.484615 | 0.811765 |
23 | SAP | 0.484615 | 0.811765 |
24 | M33 | 0.484375 | 0.864198 |
25 | BA3 | 0.484127 | 0.875 |
26 | HEJ | 0.48062 | 0.851852 |
27 | ATP | 0.48062 | 0.851852 |
28 | ADP | 0.480315 | 0.851852 |
29 | B4P | 0.480315 | 0.875 |
30 | AP5 | 0.480315 | 0.875 |
31 | ANP | 0.477273 | 0.831325 |
32 | AQP | 0.476923 | 0.851852 |
33 | 5FA | 0.476923 | 0.851852 |
34 | 48N | 0.469388 | 0.902439 |
35 | OAD | 0.467626 | 0.876543 |
36 | 9X8 | 0.467626 | 0.833333 |
37 | FAD NBA | 0.467033 | 0.793814 |
38 | GTA | 0.465753 | 0.892857 |
39 | AN2 | 0.465116 | 0.841463 |
40 | AT4 | 0.465116 | 0.821429 |
41 | AD9 | 0.462121 | 0.831325 |
42 | 3OD | 0.460993 | 0.876543 |
43 | RBF | 0.460938 | 0.790123 |
44 | FB0 | 0.460606 | 0.835165 |
45 | 139 | 0.460526 | 0.858824 |
46 | AP0 | 0.46 | 0.835294 |
47 | A22 | 0.459854 | 0.864198 |
48 | ACP | 0.458015 | 0.853659 |
49 | 8QN | 0.456522 | 0.864198 |
50 | PRX | 0.454545 | 0.831325 |
51 | A3R | 0.453237 | 0.86747 |
52 | A1R | 0.453237 | 0.86747 |
53 | G3A | 0.452055 | 0.902439 |
54 | T5A | 0.45098 | 0.872093 |
55 | G5P | 0.44898 | 0.902439 |
56 | ATF | 0.448529 | 0.821429 |
57 | 50T | 0.44697 | 0.819277 |
58 | 6YZ | 0.445255 | 0.853659 |
59 | ACQ | 0.444444 | 0.853659 |
60 | CNV FAD | 0.443182 | 0.917647 |
61 | ADQ | 0.442857 | 0.853659 |
62 | PAJ | 0.442857 | 0.847059 |
63 | 5AL | 0.441176 | 0.864198 |
64 | ADX | 0.439394 | 0.775281 |
65 | CA0 | 0.439394 | 0.853659 |
66 | A4P | 0.437909 | 0.831461 |
67 | 25L | 0.4375 | 0.864198 |
68 | P33 FDA | 0.436464 | 0.817204 |
69 | 5SV | 0.435714 | 0.793103 |
70 | OMR | 0.434211 | 0.818182 |
71 | TXE | 0.434211 | 0.890244 |
72 | ABM | 0.434109 | 0.829268 |
73 | A | 0.433071 | 0.82716 |
74 | AMP | 0.433071 | 0.82716 |
75 | 4AD | 0.432624 | 0.855422 |
76 | ADJ | 0.432258 | 0.818182 |
77 | B5M | 0.431507 | 0.878049 |
78 | B5Y | 0.431507 | 0.878049 |
79 | BIS | 0.430556 | 0.802326 |
80 | SRA | 0.429688 | 0.788235 |
81 | AFH | 0.42953 | 0.825581 |
82 | NXX | 0.427632 | 0.865854 |
83 | DND | 0.427632 | 0.865854 |
84 | UP5 | 0.427632 | 0.878049 |
85 | 6V0 | 0.427632 | 0.857143 |
86 | TXD | 0.427632 | 0.890244 |
87 | DQV | 0.426667 | 0.8875 |
88 | SRP | 0.42446 | 0.843373 |
89 | PR8 | 0.423611 | 0.837209 |
90 | T99 | 0.423358 | 0.821429 |
91 | TAT | 0.423358 | 0.821429 |
92 | AMO | 0.422535 | 0.865854 |
93 | TXA | 0.42069 | 0.865854 |
94 | FYA | 0.42069 | 0.864198 |
95 | PTJ | 0.42069 | 0.835294 |
96 | CNA | 0.420382 | 0.865854 |
97 | 00A | 0.41958 | 0.823529 |
98 | AHX | 0.41958 | 0.835294 |
99 | MAP | 0.41844 | 0.811765 |
100 | NAI | 0.418301 | 0.845238 |
101 | AU1 | 0.41791 | 0.831325 |
102 | A12 | 0.416667 | 0.843373 |
103 | AP2 | 0.416667 | 0.843373 |
104 | 25A | 0.415493 | 0.851852 |
105 | 9ZA | 0.415493 | 0.845238 |
106 | 9ZD | 0.415493 | 0.845238 |
107 | COD | 0.415094 | 0.842697 |
108 | 4TC | 0.412903 | 0.879518 |
109 | APC | 0.411765 | 0.843373 |
110 | ME8 | 0.410959 | 0.806818 |
111 | 1ZZ | 0.410959 | 0.806818 |
112 | NB8 | 0.410959 | 0.835294 |
113 | 4UW | 0.409091 | 0.825581 |
114 | NAX | 0.409091 | 0.837209 |
115 | F2R | 0.408805 | 0.850575 |
116 | RBY | 0.408759 | 0.843373 |
117 | ADV | 0.408759 | 0.843373 |
118 | P1H | 0.405882 | 0.818182 |
119 | OOB | 0.405594 | 0.864198 |
120 | LAD | 0.40411 | 0.825581 |
121 | A A | 0.40411 | 0.829268 |
122 | UPA | 0.403846 | 0.86747 |
123 | 4UU | 0.401316 | 0.833333 |
124 | GA7 | 0.401316 | 0.865854 |
125 | A3D | 0.401235 | 0.876543 |
126 | 80F | 0.401235 | 0.808989 |
127 | XAH | 0.4 | 0.806818 |
128 | DLL | 0.4 | 0.864198 |
This union binding pocket(no: 1) in the query (biounit: 1n4w.bio1) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |