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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 | 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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UFP | 1 | 1 |
2 | BRU | 0.716418 | 0.972222 |
3 | TMP | 0.716418 | 0.917808 |
4 | 5HU | 0.716418 | 0.905405 |
5 | 5IU | 0.705882 | 0.972222 |
6 | BVP | 0.648649 | 0.931507 |
7 | TYD | 0.6 | 0.905405 |
8 | UMP | 0.591549 | 0.929577 |
9 | DU | 0.591549 | 0.929577 |
10 | TTP | 0.56962 | 0.905405 |
11 | 5FU | 0.555556 | 0.917808 |
12 | DDN | 0.555556 | 0.929577 |
13 | TBD | 0.506173 | 0.87013 |
14 | TTP MG | 0.506024 | 0.878378 |
15 | DAU | 0.5 | 0.846154 |
16 | TLO | 0.494382 | 0.857143 |
17 | 5CM | 0.493671 | 0.857143 |
18 | DUD | 0.493671 | 0.916667 |
19 | DCM | 0.493506 | 0.866667 |
20 | DC | 0.493506 | 0.866667 |
21 | TDX | 0.48913 | 0.857143 |
22 | TRH | 0.48913 | 0.846154 |
23 | 18T | 0.48913 | 0.846154 |
24 | 1JB | 0.48913 | 0.846154 |
25 | 9RC | 0.488889 | 0.776471 |
26 | FDM | 0.487179 | 0.958904 |
27 | UMC | 0.473684 | 0.876712 |
28 | 3R2 | 0.473118 | 0.835443 |
29 | DUT | 0.46988 | 0.916667 |
30 | 0FX | 0.46875 | 0.825 |
31 | NYM | 0.468354 | 0.893333 |
32 | QBT | 0.467532 | 0.864865 |
33 | THM | 0.464789 | 0.786667 |
34 | LLT | 0.464789 | 0.786667 |
35 | 3YN | 0.463158 | 0.846154 |
36 | T3F | 0.463158 | 0.825 |
37 | T3Q | 0.463158 | 0.825 |
38 | DWN | 0.463158 | 0.825 |
39 | THP | 0.4625 | 0.90411 |
40 | T46 | 0.458333 | 0.846154 |
41 | ID2 | 0.458333 | 0.837838 |
42 | 0N2 | 0.458333 | 0.814815 |
43 | UC5 | 0.45679 | 0.90411 |
44 | AKM | 0.454545 | 0.807229 |
45 | MMF | 0.453608 | 0.825 |
46 | ATM | 0.452381 | 0.835443 |
47 | 0DN | 0.452055 | 0.821918 |
48 | 4TG | 0.45 | 0.835443 |
49 | DUP | 0.447059 | 0.891892 |
50 | DUN | 0.445783 | 0.891892 |
51 | QDM | 0.444444 | 0.814815 |
52 | 1YF | 0.44 | 0.835443 |
53 | JHZ | 0.44 | 0.804878 |
54 | FNF | 0.44 | 0.835443 |
55 | 5UD | 0.430556 | 0.786667 |
56 | 8OG | 0.430233 | 0.807229 |
57 | BVD | 0.428571 | 0.8 |
58 | UMP AF3 PO4 | 0.420455 | 0.893333 |
59 | T5A | 0.418182 | 0.767442 |
60 | DUT MG | 0.413793 | 0.888889 |
61 | GPK | 0.413333 | 0.75 |
62 | YYY | 0.411765 | 0.855263 |
63 | 3DR DT DT DT DT DT | 0.407767 | 0.844156 |
64 | FUH | 0.407407 | 0.825 |
65 | QUH | 0.407407 | 0.825 |
66 | 5BU | 0.407407 | 0.891892 |
67 | T3P | 0.405063 | 0.878378 |
68 | F6G | 0.404494 | 0.820513 |
69 | DK4 | 0.402597 | 0.746667 |
70 | 6U4 | 0.4 | 0.814815 |
71 | ATY | 0.4 | 0.857143 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FDA T2C | 0.8610 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DUS | 0.9760 |
2 | U | 0.9712 |
3 | TKW | 0.9648 |
4 | CAR | 0.9564 |
5 | U5P | 0.9556 |
6 | 9L3 | 0.9531 |
7 | H2U | 0.9527 |
8 | D4M | 0.9526 |
9 | 2DT | 0.9526 |
10 | C | 0.9516 |
11 | UP6 | 0.9515 |
12 | D5M | 0.9510 |
13 | DA | 0.9510 |
14 | DI | 0.9509 |
15 | C5P | 0.9506 |
16 | FN5 | 0.9506 |
17 | CH | 0.9506 |
18 | AMP | 0.9484 |
19 | PSU | 0.9474 |
20 | IMP | 0.9440 |
21 | CNU | 0.9440 |
22 | 5HM | 0.9434 |
23 | BMP | 0.9416 |
24 | FNU | 0.9411 |
25 | DOC | 0.9401 |
26 | 16B | 0.9379 |
27 | T3S | 0.9340 |
28 | FMP | 0.9340 |
29 | NUP | 0.9329 |
30 | DG | 0.9327 |
31 | DGP | 0.9327 |
32 | 6MA | 0.9324 |
33 | 8OP | 0.9314 |
34 | 5GP | 0.9262 |
35 | BMQ | 0.9250 |
36 | 8BR | 0.9228 |
37 | U6M | 0.9214 |
38 | G | 0.9213 |
39 | PFU | 0.9207 |
40 | XMP | 0.9195 |
41 | 71V | 0.9157 |
42 | NCN | 0.9146 |
43 | IRP | 0.9134 |
44 | S5P | 0.9128 |
45 | NIA | 0.9110 |
46 | NMN | 0.9107 |
47 | ABM | 0.9095 |
48 | 7D5 | 0.9094 |
49 | 45A | 0.9090 |
50 | SRA | 0.9087 |
51 | AMZ | 0.9084 |
52 | 6CN | 0.9071 |
53 | RVP | 0.9062 |
54 | CMP | 0.9061 |
55 | U4S | 0.9056 |
56 | C2R | 0.9042 |
57 | 8GM | 0.9029 |
58 | IMU | 0.9028 |
59 | PCG | 0.9000 |
60 | RBZ | 0.8996 |
61 | TXS | 0.8958 |
62 | 4BH | 0.8954 |
63 | AS | 0.8944 |
64 | Z8B | 0.8938 |
65 | SP1 | 0.8933 |
66 | RP1 | 0.8933 |
67 | OMP | 0.8932 |
68 | JW5 | 0.8932 |
69 | 93A | 0.8922 |
70 | A3N | 0.8921 |
71 | N5O | 0.8920 |
72 | 35G | 0.8917 |
73 | AIR | 0.8903 |
74 | SSI | 0.8893 |
75 | MTE | 0.8892 |
76 | 6AU | 0.8884 |
77 | MZP | 0.8871 |
78 | 75G | 0.8870 |
79 | MTA | 0.8862 |
80 | 5QT | 0.8844 |
81 | 2GE | 0.8842 |
82 | NEC | 0.8829 |
83 | 6OG | 0.8817 |
84 | 6J7 | 0.8783 |
85 | JFX | 0.8762 |
86 | MTM | 0.8755 |
87 | MTI | 0.8750 |
88 | 6U5 | 0.8737 |
89 | QTJ | 0.8731 |
90 | MTH | 0.8729 |
91 | 3F5 | 0.8712 |
92 | 9X0 | 0.8709 |
93 | IGP | 0.8697 |
94 | PZB | 0.8694 |
95 | 6SW | 0.8686 |
96 | 4X2 | 0.8650 |
97 | OE2 | 0.8642 |
98 | KMG | 0.8626 |
99 | IRN | 0.8621 |
100 | SNP | 0.8620 |
101 | 9RK | 0.8612 |
102 | 1CE | 0.8608 |
103 | 43G | 0.8603 |
104 | 5BT | 0.8598 |
105 | SU1 | 0.8588 |
106 | FX5 | 0.8586 |
107 | QNI | 0.8557 |
108 | FT1 | 0.8530 |
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 |