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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 6 families. | |||||
1 | 3G4A | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
2 | 4KAT | - | FDA | C27 H35 N9 O15 P2 | Cc1cc2c(cc.... |
3 | 1O2B | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
4 | 4GTL | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
5 | 5IOT | Kd = 109 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
6 | 5IOQ | Kd = 78 uM | DUR | C9 H12 N2 O5 | C1[C@@H]([.... |
7 | 4GTA | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
8 | 1O2A | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
9 | 4KAR | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
10 | 1O29 | - | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
11 | 4GTB | - | D16 | C21 H22 N4 O6 S | CC1=NC(=O).... |
12 | 4GTF | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
13 | 3N0C | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 4GTD | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
15 | 5IOR | Kd = 0.17 uM | DUS | C9 H12 N2 O8 S | C1[C@@H]([.... |
16 | 1O27 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
17 | 4GT9 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
18 | 4GTC | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
19 | 3G4C | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
20 | 1O26 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
21 | 3N0B | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
22 | 5IOS | Kd = 14 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
23 | 4KAS | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
24 | 1O28 | - | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
25 | 4GTE | - | MEF | C20 H23 N7 O6 | c1cc(ccc1C.... |
26 | 1O25 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3G4A | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
2 | 4KAT | - | FDA | C27 H35 N9 O15 P2 | Cc1cc2c(cc.... |
3 | 1O2B | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
4 | 4GTL | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
5 | 5IOT | Kd = 109 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
6 | 5IOQ | Kd = 78 uM | DUR | C9 H12 N2 O5 | C1[C@@H]([.... |
7 | 4GTA | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
8 | 1O2A | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
9 | 4KAR | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
10 | 1O29 | - | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
11 | 4GTB | - | D16 | C21 H22 N4 O6 S | CC1=NC(=O).... |
12 | 4GTF | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
13 | 3N0C | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 4GTD | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
15 | 5IOR | Kd = 0.17 uM | DUS | C9 H12 N2 O8 S | C1[C@@H]([.... |
16 | 1O27 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
17 | 4GT9 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
18 | 4GTC | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
19 | 3G4C | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
20 | 1O26 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
21 | 3N0B | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
22 | 5IOS | Kd = 14 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
23 | 4KAS | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
24 | 1O28 | - | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
25 | 4GTE | - | MEF | C20 H23 N7 O6 | c1cc(ccc1C.... |
26 | 1O25 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
27 | 6J61 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UMP | 1 | 1 |
2 | DU | 1 | 1 |
3 | DUD | 0.8 | 0.985075 |
4 | UC5 | 0.772727 | 0.970588 |
5 | DUT | 0.753623 | 0.985075 |
6 | DUN | 0.75 | 0.956522 |
7 | DUP | 0.742857 | 0.956522 |
8 | DUT MG | 0.694444 | 0.955224 |
9 | DUS | 0.692308 | 0.853333 |
10 | DUR | 0.683333 | 0.852941 |
11 | UMP AF3 PO4 | 0.675676 | 0.876712 |
12 | DDN | 0.632353 | 1 |
13 | UFP | 0.591549 | 0.929577 |
14 | BRU | 0.583333 | 0.929577 |
15 | 5HU | 0.583333 | 0.942857 |
16 | TMP | 0.583333 | 0.956522 |
17 | UM3 | 0.57971 | 0.955224 |
18 | 5IU | 0.575342 | 0.929577 |
19 | DC | 0.561644 | 0.928571 |
20 | DCM | 0.561644 | 0.928571 |
21 | BVP | 0.531646 | 0.942857 |
22 | DU DU DU DU BRU DU DU | 0.53125 | 0.864865 |
23 | U | 0.527778 | 0.911765 |
24 | U5P | 0.527778 | 0.911765 |
25 | DDU | 0.523077 | 0.753623 |
26 | UMC | 0.520548 | 0.941176 |
27 | QBT | 0.493333 | 0.927536 |
28 | DUA | 0.487805 | 0.783784 |
29 | DU3 | 0.487805 | 0.780822 |
30 | 5CM | 0.481013 | 0.890411 |
31 | DU4 | 0.47619 | 0.76 |
32 | TYD | 0.469136 | 0.942857 |
33 | YYY | 0.451219 | 0.915493 |
34 | UDP | 0.45 | 0.898551 |
35 | TTP | 0.447059 | 0.942857 |
36 | 8OG | 0.435294 | 0.835443 |
37 | U2P | 0.434211 | 0.884058 |
38 | U3P | 0.434211 | 0.897059 |
39 | UA3 | 0.434211 | 0.897059 |
40 | UTP | 0.433735 | 0.898551 |
41 | 44P | 0.43038 | 0.914286 |
42 | DCP | 0.430233 | 0.915493 |
43 | U5F | 0.428571 | 0.898551 |
44 | 0KX | 0.425287 | 0.890411 |
45 | DUX | 0.411765 | 0.756757 |
46 | 2KH | 0.411765 | 0.873239 |
47 | UMF | 0.410256 | 0.84507 |
48 | UPU | 0.409091 | 0.871429 |
49 | F6G | 0.409091 | 0.876712 |
50 | TTP MG | 0.409091 | 0.914286 |
51 | 139 | 0.409091 | 0.8 |
52 | URI | 0.408451 | 0.771429 |
53 | TBD | 0.406977 | 0.90411 |
54 | DU DU DU DU BRU DA DU | 0.40625 | 0.771084 |
55 | PUA | 0.405172 | 0.833333 |
56 | UNP | 0.402299 | 0.873239 |
57 | UAD | 0.4 | 0.873239 |
58 | PUP | 0.4 | 0.955882 |
59 | UDX | 0.4 | 0.873239 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FAS | 1 | 1 |
2 | FAD | 1 | 1 |
3 | FAY | 0.859259 | 0.9875 |
4 | RFL | 0.852941 | 0.963855 |
5 | UBG | 0.845588 | 0.987654 |
6 | 6FA | 0.794118 | 0.987654 |
7 | FAE | 0.751773 | 0.987654 |
8 | SFD | 0.651007 | 0.860215 |
9 | FDA | 0.641892 | 0.906977 |
10 | FNK | 0.602564 | 0.876405 |
11 | JNT | 0.598425 | 0.876543 |
12 | FAJ | 0.57485 | 0.97561 |
13 | 62F | 0.572327 | 0.939024 |
14 | F2N | 0.566265 | 0.886364 |
15 | FMN | 0.543307 | 0.876543 |
16 | FA9 | 0.526316 | 0.939759 |
17 | 6YU | 0.516304 | 0.860215 |
18 | CNV FAD | 0.511905 | 0.908046 |
19 | P6G FDA | 0.511628 | 0.908046 |
20 | FAD NBT | 0.508876 | 0.83871 |
21 | A2D | 0.504065 | 0.875 |
22 | DAL FAD PER | 0.491429 | 0.836957 |
23 | P5F | 0.491329 | 0.941176 |
24 | FAD CNX | 0.488506 | 0.8125 |
25 | APR | 0.488372 | 0.851852 |
26 | AR6 | 0.488372 | 0.851852 |
27 | FAD T2C | 0.485876 | 0.819149 |
28 | AGS | 0.484615 | 0.811765 |
29 | M33 | 0.484375 | 0.864198 |
30 | BA3 | 0.484127 | 0.875 |
31 | ATP | 0.48062 | 0.851852 |
32 | HEJ | 0.48062 | 0.851852 |
33 | B4P | 0.480315 | 0.875 |
34 | ADP | 0.480315 | 0.851852 |
35 | AP5 | 0.480315 | 0.875 |
36 | ANP | 0.477273 | 0.831325 |
37 | 5FA | 0.476923 | 0.851852 |
38 | AQP | 0.476923 | 0.851852 |
39 | 48N | 0.469388 | 0.902439 |
40 | OAD | 0.467626 | 0.876543 |
41 | 9X8 | 0.467626 | 0.833333 |
42 | FAD NBA | 0.467033 | 0.793814 |
43 | GTA | 0.465753 | 0.892857 |
44 | AT4 | 0.465116 | 0.821429 |
45 | AN2 | 0.465116 | 0.841463 |
46 | HQG | 0.463235 | 0.841463 |
47 | AD9 | 0.462121 | 0.831325 |
48 | 3OD | 0.460993 | 0.876543 |
49 | RBF | 0.460938 | 0.790123 |
50 | FB0 | 0.460606 | 0.835165 |
51 | 139 | 0.460526 | 0.858824 |
52 | AP0 | 0.46 | 0.835294 |
53 | A22 | 0.459854 | 0.864198 |
54 | ACP | 0.458015 | 0.853659 |
55 | 8QN | 0.456522 | 0.864198 |
56 | PRX | 0.454545 | 0.831325 |
57 | A3R | 0.453237 | 0.86747 |
58 | A1R | 0.453237 | 0.86747 |
59 | G3A | 0.452055 | 0.902439 |
60 | T5A | 0.45098 | 0.872093 |
61 | G5P | 0.44898 | 0.902439 |
62 | ATF | 0.448529 | 0.821429 |
63 | 50T | 0.44697 | 0.819277 |
64 | OZV | 0.446043 | 0.851852 |
65 | 6YZ | 0.445255 | 0.853659 |
66 | ACQ | 0.444444 | 0.853659 |
67 | ADQ | 0.442857 | 0.853659 |
68 | PAJ | 0.442857 | 0.847059 |
69 | KMQ | 0.441379 | 0.843373 |
70 | 8LE | 0.441176 | 0.855422 |
71 | 5AL | 0.441176 | 0.864198 |
72 | ADX | 0.439394 | 0.775281 |
73 | CA0 | 0.439394 | 0.853659 |
74 | 8LQ | 0.438849 | 0.865854 |
75 | QA7 | 0.438849 | 0.855422 |
76 | A4P | 0.437909 | 0.831461 |
77 | 25L | 0.4375 | 0.864198 |
78 | P33 FDA | 0.436464 | 0.817204 |
79 | KG4 | 0.43609 | 0.853659 |
80 | 5SV | 0.435714 | 0.793103 |
81 | 8LH | 0.434783 | 0.843373 |
82 | OMR | 0.434211 | 0.818182 |
83 | TXE | 0.434211 | 0.890244 |
84 | 45A | 0.434109 | 0.829268 |
85 | ABM | 0.434109 | 0.829268 |
86 | AMP | 0.433071 | 0.82716 |
87 | A | 0.433071 | 0.82716 |
88 | 4AD | 0.432624 | 0.855422 |
89 | ADJ | 0.432258 | 0.818182 |
90 | B5M | 0.431507 | 0.878049 |
91 | B5Y | 0.431507 | 0.878049 |
92 | BIS | 0.430556 | 0.802326 |
93 | DJC FAD | 0.43 | 0.827957 |
94 | SRA | 0.429688 | 0.788235 |
95 | AFH | 0.42953 | 0.825581 |
96 | DND | 0.427632 | 0.865854 |
97 | TXD | 0.427632 | 0.890244 |
98 | UP5 | 0.427632 | 0.878049 |
99 | 6V0 | 0.427632 | 0.857143 |
100 | DQV | 0.426667 | 0.8875 |
101 | SRP | 0.42446 | 0.843373 |
102 | PR8 | 0.423611 | 0.837209 |
103 | TAT | 0.423358 | 0.821429 |
104 | T99 | 0.423358 | 0.821429 |
105 | AMO | 0.422535 | 0.865854 |
106 | PTJ | 0.42069 | 0.835294 |
107 | TXA | 0.42069 | 0.865854 |
108 | FYA | 0.42069 | 0.864198 |
109 | CNA | 0.420382 | 0.865854 |
110 | AHX | 0.41958 | 0.835294 |
111 | 00A | 0.41958 | 0.823529 |
112 | AMP MG | 0.418605 | 0.814815 |
113 | MAP | 0.41844 | 0.811765 |
114 | NAI | 0.418301 | 0.845238 |
115 | AU1 | 0.41791 | 0.831325 |
116 | A12 | 0.416667 | 0.843373 |
117 | AP2 | 0.416667 | 0.843373 |
118 | 9ZD | 0.415493 | 0.845238 |
119 | 25A | 0.415493 | 0.851852 |
120 | 9ZA | 0.415493 | 0.845238 |
121 | COD | 0.415094 | 0.842697 |
122 | 4TC | 0.412903 | 0.879518 |
123 | APC | 0.411765 | 0.843373 |
124 | ME8 | 0.410959 | 0.806818 |
125 | 1ZZ | 0.410959 | 0.806818 |
126 | NB8 | 0.410959 | 0.835294 |
127 | ADP BEF | 0.410448 | 0.82716 |
128 | ADP MG | 0.410448 | 0.82716 |
129 | DJ0 FAD | 0.41 | 0.865169 |
130 | 4UW | 0.409091 | 0.825581 |
131 | NAX | 0.409091 | 0.837209 |
132 | F2R | 0.408805 | 0.850575 |
133 | ADV | 0.408759 | 0.843373 |
134 | RBY | 0.408759 | 0.843373 |
135 | VO4 ADP | 0.407143 | 0.809524 |
136 | P1H | 0.405882 | 0.818182 |
137 | BEF ADP | 0.405797 | 0.807229 |
138 | OOB | 0.405594 | 0.864198 |
139 | LAD | 0.40411 | 0.825581 |
140 | UPA | 0.403846 | 0.86747 |
141 | 4UU | 0.401316 | 0.833333 |
142 | GA7 | 0.401316 | 0.865854 |
143 | A3D | 0.401235 | 0.876543 |
144 | 80F | 0.401235 | 0.808989 |
145 | DLL | 0.4 | 0.864198 |
146 | XAH | 0.4 | 0.806818 |
147 | V2G | 0.4 | 0.857143 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | C | 0.9730 |
2 | CAR | 0.9723 |
3 | C5P | 0.9681 |
4 | FDM | 0.9649 |
5 | UP6 | 0.9647 |
6 | H2U | 0.9629 |
7 | DOC | 0.9620 |
8 | 9L3 | 0.9598 |
9 | CH | 0.9596 |
10 | FN5 | 0.9596 |
11 | NYM | 0.9580 |
12 | PSU | 0.9530 |
13 | 16B | 0.9517 |
14 | BMP | 0.9504 |
15 | TKW | 0.9502 |
16 | 5FU | 0.9490 |
17 | 5BU | 0.9458 |
18 | D4M | 0.9437 |
19 | 2DT | 0.9437 |
20 | BMQ | 0.9431 |
21 | NUP | 0.9400 |
22 | U6M | 0.9325 |
23 | C2R | 0.9313 |
24 | S5P | 0.9295 |
25 | DI | 0.9277 |
26 | DA | 0.9275 |
27 | D5M | 0.9275 |
28 | AMP | 0.9269 |
29 | PFU | 0.9242 |
30 | T3S | 0.9242 |
31 | NMN | 0.9234 |
32 | NCN | 0.9224 |
33 | AIR | 0.9223 |
34 | NIA | 0.9194 |
35 | AMZ | 0.9180 |
36 | FNU | 0.9175 |
37 | IMP | 0.9168 |
38 | 6MA | 0.9138 |
39 | U4S | 0.9134 |
40 | 5HM | 0.9130 |
41 | ATM | 0.9120 |
42 | 6CN | 0.9112 |
43 | FMP | 0.9092 |
44 | CNU | 0.9077 |
45 | AS | 0.9077 |
46 | 7D5 | 0.9028 |
47 | IRP | 0.9020 |
48 | MTE | 0.8992 |
49 | 5GP | 0.8989 |
50 | IRN | 0.8979 |
51 | AZU | 0.8977 |
52 | 5QT | 0.8965 |
53 | 8BR | 0.8959 |
54 | CMP | 0.8957 |
55 | 8OP | 0.8950 |
56 | DG | 0.8948 |
57 | DGP | 0.8948 |
58 | VKE | 0.8917 |
59 | 6AU | 0.8904 |
60 | OMP | 0.8878 |
61 | JW5 | 0.8877 |
62 | 6SY | 0.8869 |
63 | GAR | 0.8867 |
64 | 2T4 | 0.8854 |
65 | NEC | 0.8836 |
66 | PZB | 0.8833 |
67 | 71V | 0.8832 |
68 | N5O | 0.8825 |
69 | RP1 | 0.8825 |
70 | G | 0.8822 |
71 | TXS | 0.8794 |
72 | GO1 | 0.8790 |
73 | XMP | 0.8768 |
74 | SP1 | 0.8761 |
75 | TWB | 0.8748 |
76 | CDP | 0.8746 |
77 | MTA | 0.8718 |
78 | MTH | 0.8714 |
79 | 8GM | 0.8663 |
80 | 15I | 0.8654 |
81 | 3N4 | 0.8651 |
82 | CC7 | 0.8650 |
83 | IGP | 0.8638 |
84 | MTM | 0.8634 |
85 | VIB | 0.8625 |
86 | 6G7 | 0.8611 |
87 | CTN | 0.8597 |
88 | 1CE | 0.8583 |
89 | 4X2 | 0.8582 |
90 | DCZ | 0.8572 |
91 | FAI | 0.8570 |
92 | 9RK | 0.8558 |
93 | F95 | 0.8547 |
94 | 22T | 0.8531 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FDA T2C | 0.8610 |
This union binding pocket(no: 1) in the query (biounit: 5ior.bio1) has 146 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ior.bio1) has 146 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5ior.bio1) has 146 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5ior.bio1) has 146 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 5ior.bio1) has 146 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 5ior.bio1) has 146 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 5ior.bio1) has 146 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 5ior.bio1) has 146 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 5ior.bio1) has 147 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 5ior.bio1) has 147 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 5ior.bio1) has 147 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 5ior.bio1) has 147 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |