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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 337 families. | |||||
1 | 6WY9 | - | FDA | C27 H35 N9 O15 P2 | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 225 families. | |||||
1 | 6WY9 | - | FDA | C27 H35 N9 O15 P2 | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FDA | 1 | 1 |
2 | FNK | 0.691781 | 0.965517 |
3 | F2N | 0.647436 | 0.976744 |
4 | FAD | 0.641892 | 0.906977 |
5 | FAS | 0.641892 | 0.906977 |
6 | SFD | 0.630872 | 0.787879 |
7 | 6FA | 0.61745 | 0.896552 |
8 | JNT | 0.6 | 0.835294 |
9 | 6YU | 0.586207 | 0.903226 |
10 | RFL | 0.585987 | 0.876405 |
11 | FAD NBT | 0.584906 | 0.902174 |
12 | FAY | 0.579618 | 0.895349 |
13 | CNV FAD | 0.578616 | 0.954023 |
14 | FAJ | 0.575758 | 0.886364 |
15 | 62F | 0.573248 | 0.895349 |
16 | DAL FAD PER | 0.573171 | 0.922222 |
17 | FA9 | 0.554217 | 0.918605 |
18 | FAD CNX | 0.551515 | 0.873684 |
19 | FAD T2C | 0.547619 | 0.902174 |
20 | P5F | 0.545455 | 0.920455 |
21 | UBG | 0.540373 | 0.918605 |
22 | FNR | 0.532258 | 0.892857 |
23 | FAD NBA | 0.526012 | 0.873684 |
24 | A2D | 0.516667 | 0.833333 |
25 | AR6 | 0.5 | 0.811765 |
26 | APR | 0.5 | 0.811765 |
27 | M33 | 0.496 | 0.823529 |
28 | BA3 | 0.495935 | 0.833333 |
29 | P6G FDA | 0.494186 | 0.827957 |
30 | B4P | 0.491935 | 0.833333 |
31 | AP5 | 0.491935 | 0.833333 |
32 | DJC FAD | 0.489474 | 0.912088 |
33 | ANP | 0.488372 | 0.813953 |
34 | AGS | 0.484375 | 0.795455 |
35 | ATP | 0.480315 | 0.833333 |
36 | HEJ | 0.480315 | 0.833333 |
37 | ADP | 0.48 | 0.833333 |
38 | 48N | 0.479167 | 0.818182 |
39 | FB0 | 0.478261 | 0.819149 |
40 | 5FA | 0.476562 | 0.833333 |
41 | AQP | 0.476562 | 0.833333 |
42 | AT4 | 0.47619 | 0.804598 |
43 | AN2 | 0.47619 | 0.823529 |
44 | GTA | 0.475524 | 0.831461 |
45 | HQG | 0.473684 | 0.823529 |
46 | AD9 | 0.472868 | 0.813953 |
47 | 3OD | 0.471014 | 0.835294 |
48 | FAE | 0.46988 | 0.896552 |
49 | ATF | 0.469697 | 0.804598 |
50 | AP0 | 0.469388 | 0.860465 |
51 | ACP | 0.46875 | 0.835294 |
52 | OAD | 0.467153 | 0.835294 |
53 | 9X8 | 0.467153 | 0.795455 |
54 | A3R | 0.463235 | 0.827586 |
55 | A1R | 0.463235 | 0.827586 |
56 | PAJ | 0.463235 | 0.808989 |
57 | G3A | 0.461538 | 0.83908 |
58 | T5A | 0.46 | 0.896552 |
59 | A22 | 0.459259 | 0.845238 |
60 | 8LQ | 0.459259 | 0.825581 |
61 | G5P | 0.458333 | 0.83908 |
62 | 6YZ | 0.455224 | 0.835294 |
63 | DQV | 0.455172 | 0.845238 |
64 | ACQ | 0.454545 | 0.835294 |
65 | PRX | 0.453846 | 0.793103 |
66 | 5AL | 0.451128 | 0.823529 |
67 | ADX | 0.449612 | 0.741935 |
68 | CA0 | 0.449612 | 0.813953 |
69 | QA7 | 0.448529 | 0.816092 |
70 | KG4 | 0.446154 | 0.813953 |
71 | 50T | 0.446154 | 0.802326 |
72 | 8QN | 0.445255 | 0.823529 |
73 | 45A | 0.444444 | 0.790698 |
74 | 8LH | 0.444444 | 0.804598 |
75 | ABM | 0.444444 | 0.790698 |
76 | A | 0.443548 | 0.809524 |
77 | AMP | 0.443548 | 0.809524 |
78 | OMR | 0.442953 | 0.782609 |
79 | TXE | 0.442953 | 0.892857 |
80 | AMO | 0.442029 | 0.825581 |
81 | ADQ | 0.442029 | 0.813953 |
82 | 139 | 0.440789 | 0.862069 |
83 | ADJ | 0.440789 | 0.822222 |
84 | KMQ | 0.440559 | 0.825581 |
85 | B5M | 0.440559 | 0.837209 |
86 | 8LE | 0.440298 | 0.816092 |
87 | PTJ | 0.439716 | 0.818182 |
88 | ME8 | 0.439716 | 0.771739 |
89 | BIS | 0.439716 | 0.786517 |
90 | TXA | 0.439716 | 0.825581 |
91 | AFH | 0.438356 | 0.788889 |
92 | A4P | 0.437086 | 0.876405 |
93 | UP5 | 0.436242 | 0.880952 |
94 | DND | 0.436242 | 0.825581 |
95 | TXD | 0.436242 | 0.870588 |
96 | 6V0 | 0.436242 | 0.882353 |
97 | 5SV | 0.434783 | 0.758242 |
98 | SRP | 0.433824 | 0.804598 |
99 | 4AD | 0.431655 | 0.816092 |
100 | DJ0 FAD | 0.430769 | 0.847826 |
101 | B5Y | 0.430556 | 0.837209 |
102 | P1H | 0.430303 | 0.842697 |
103 | FYA | 0.429577 | 0.823529 |
104 | SRA | 0.428571 | 0.772727 |
105 | AHX | 0.428571 | 0.797753 |
106 | AMP MG | 0.428571 | 0.776471 |
107 | P33 FDA | 0.427778 | 0.821053 |
108 | MAP | 0.427536 | 0.795455 |
109 | AU1 | 0.427481 | 0.813953 |
110 | NAI | 0.426667 | 0.870588 |
111 | 25L | 0.426573 | 0.845238 |
112 | AP2 | 0.426357 | 0.825581 |
113 | A12 | 0.426357 | 0.825581 |
114 | OZV | 0.42446 | 0.811765 |
115 | EAD | 0.423313 | 0.862069 |
116 | COD | 0.423077 | 0.806452 |
117 | PR8 | 0.422535 | 0.8 |
118 | T99 | 0.422222 | 0.804598 |
119 | TAT | 0.422222 | 0.804598 |
120 | APC | 0.421053 | 0.825581 |
121 | 4TC | 0.421053 | 0.882353 |
122 | ADP MG | 0.419847 | 0.788235 |
123 | ADP BEF | 0.419847 | 0.788235 |
124 | 1ZZ | 0.41958 | 0.771739 |
125 | NB8 | 0.41958 | 0.797753 |
126 | GA7 | 0.418919 | 0.825581 |
127 | 4UU | 0.418919 | 0.837209 |
128 | 00A | 0.41844 | 0.786517 |
129 | ADV | 0.41791 | 0.804598 |
130 | RBY | 0.41791 | 0.804598 |
131 | A3D | 0.417722 | 0.835294 |
132 | NAX | 0.417219 | 0.862069 |
133 | ANP MG | 0.416058 | 0.781609 |
134 | VO4 ADP | 0.416058 | 0.793103 |
135 | OOB | 0.414286 | 0.823529 |
136 | 25A | 0.414286 | 0.833333 |
137 | LAD | 0.412587 | 0.788889 |
138 | UPA | 0.411765 | 0.870588 |
139 | CNA | 0.410256 | 0.825581 |
140 | 80F | 0.408805 | 0.833333 |
141 | V2G | 0.408759 | 0.83908 |
142 | DLL | 0.408451 | 0.823529 |
143 | XAH | 0.408163 | 0.771739 |
144 | 4UW | 0.407895 | 0.829545 |
145 | F2R | 0.407643 | 0.793478 |
146 | ATP MG | 0.407407 | 0.788235 |
147 | APC MG | 0.407407 | 0.770115 |
148 | ADP PO3 | 0.407407 | 0.788235 |
149 | DAL AMP | 0.407143 | 0.802326 |
150 | 3UK | 0.405594 | 0.835294 |
151 | 4UV | 0.405405 | 0.837209 |
152 | TYM | 0.405229 | 0.825581 |
153 | NAD | 0.405063 | 0.823529 |
154 | BEF ADP | 0.404412 | 0.770115 |
155 | 9ZD | 0.404255 | 0.827586 |
156 | 9ZA | 0.404255 | 0.827586 |
157 | 9SN | 0.40411 | 0.797753 |
158 | WAQ | 0.402778 | 0.806818 |
159 | B5V | 0.402778 | 0.825581 |
160 | L3W | 0.402597 | 0.869048 |
161 | FA5 | 0.401361 | 0.825581 |
162 | YLP | 0.401316 | 0.793478 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FDA T2C | 0.8779 |
This union binding pocket(no: 1) in the query (biounit: 6wy9.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6ES9 | FAD | 34.626 |
2 | 6ES9 | FAD | 34.626 |
3 | 1UDY | CS8 | 38.7363 |
4 | 1UDY | FAD | 38.7363 |
5 | 1UDY | FAD | 38.7363 |
6 | 1UDY | FAD | 38.7363 |
7 | 1UDY | FAD | 38.7363 |
8 | 1UDY | CS8 | 38.7363 |
9 | 1RX0 | FAD | 41.5789 |
10 | 1RX0 | FAD | 41.5789 |
11 | 1RX0 | FAD | 41.5789 |
12 | 1RX0 | FAD | 41.5789 |
13 | 1JQI | FAD | 45.7064 |
14 | 1JQI | FAD | 45.7064 |
This union binding pocket(no: 2) in the query (biounit: 6wy9.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |