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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 1331 families. | |||||
1 | 5B2F | - | MQG | C7 H16 N O7 P | CP(=O)(N[C.... |
2 | 5B2E | - | MQG | C7 H16 N O7 P | CP(=O)(N[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5B2F | - | MQG | C7 H16 N O7 P | CP(=O)(N[C.... |
2 | 5B2E | - | MQG | C7 H16 N O7 P | CP(=O)(N[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MQG | 1 | 1 |
2 | NNG | 0.645833 | 0.924528 |
3 | NDG | 0.5 | 0.698113 |
4 | NAG | 0.5 | 0.698113 |
5 | HSQ | 0.5 | 0.698113 |
6 | BM3 | 0.5 | 0.698113 |
7 | NGA | 0.5 | 0.698113 |
8 | A2G | 0.5 | 0.698113 |
9 | BGN | 0.436364 | 0.637931 |
10 | YX1 | 0.428571 | 0.758065 |
11 | SIZ | 0.425926 | 0.642857 |
12 | STZ | 0.421053 | 0.730159 |
13 | ALX | 0.4 | 0.730769 |
14 | BNX | 0.4 | 0.730769 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MAG | 0.9471 |
2 | GDL | 0.9452 |
3 | LOG | 0.9420 |
4 | NOK | 0.9354 |
5 | SNG | 0.9307 |
6 | 68A | 0.9270 |
7 | HHS | 0.9249 |
8 | 9H2 | 0.9244 |
9 | PH2 | 0.9231 |
10 | 8NB | 0.9225 |
11 | FDR | 0.9194 |
12 | Y0V | 0.9175 |
13 | LIP | 0.9154 |
14 | HHR | 0.9151 |
15 | H5B | 0.9142 |
16 | I4D | 0.9139 |
17 | GJP | 0.9124 |
18 | PMP | 0.9121 |
19 | PLP | 0.9106 |
20 | QMS | 0.9104 |
21 | BBK | 0.9097 |
22 | 5NS | 0.9093 |
23 | IPD | 0.9072 |
24 | HBI | 0.9060 |
25 | S0G | 0.9049 |
26 | APS | 0.9046 |
27 | PRF | 0.9043 |
28 | 4RU | 0.9043 |
29 | RH1 | 0.9038 |
30 | ARP | 0.9018 |
31 | 2F8 | 0.9012 |
32 | LZ2 | 0.8998 |
33 | GF4 | 0.8979 |
34 | CTE | 0.8977 |
35 | I2E | 0.8976 |
36 | 2K8 | 0.8973 |
37 | SG2 | 0.8970 |
38 | F5C | 0.8962 |
39 | 4NP | 0.8962 |
40 | KGK | 0.8958 |
41 | 86L | 0.8954 |
42 | 4KL | 0.8953 |
43 | 6HP | 0.8946 |
44 | YO5 | 0.8936 |
45 | DNA | 0.8931 |
46 | ST2 | 0.8930 |
47 | 21D | 0.8924 |
48 | X04 | 0.8920 |
49 | OQC | 0.8919 |
50 | 2CZ | 0.8910 |
51 | LAO | 0.8910 |
52 | MNS | 0.8909 |
53 | 1BW | 0.8907 |
54 | DJN | 0.8905 |
55 | UA5 | 0.8904 |
56 | 54Z | 0.8891 |
57 | H4B | 0.8889 |
58 | CG | 0.8885 |
59 | 2KA | 0.8884 |
60 | G6P | 0.8879 |
61 | IOS | 0.8877 |
62 | AMR | 0.8874 |
63 | K82 | 0.8864 |
64 | BIO | 0.8860 |
65 | A5P | 0.8860 |
66 | B62 | 0.8860 |
67 | AU8 | 0.8855 |
68 | HNT | 0.8852 |
69 | 0J4 | 0.8849 |
70 | MP5 | 0.8845 |
71 | EE8 | 0.8844 |
72 | G1P | 0.8844 |
73 | 88L | 0.8842 |
74 | GC2 | 0.8842 |
75 | L1Q | 0.8841 |
76 | 505 | 0.8838 |
77 | JTH | 0.8833 |
78 | BA5 | 0.8832 |
79 | MD6 | 0.8831 |
80 | 27B | 0.8829 |
81 | 9ZE | 0.8826 |
82 | UQ1 | 0.8822 |
83 | ZPF | 0.8818 |
84 | UFO | 0.8818 |
85 | GLP | 0.8815 |
86 | 0FN | 0.8814 |
87 | 7AP | 0.8810 |
88 | BHQ | 0.8810 |
89 | SYE | 0.8805 |
90 | SY4 | 0.8804 |
91 | BHS | 0.8801 |
92 | 54X | 0.8800 |
93 | 4MB | 0.8793 |
94 | IBM | 0.8792 |
95 | BG6 | 0.8790 |
96 | H2B | 0.8789 |
97 | GO8 | 0.8786 |
98 | 657 | 0.8786 |
99 | 0J5 | 0.8785 |
100 | X0T | 0.8783 |
101 | S8A | 0.8779 |
102 | 3N1 | 0.8777 |
103 | 4NS | 0.8765 |
104 | NBG | 0.8765 |
105 | MUR | 0.8764 |
106 | 44V | 0.8762 |
107 | 5WU | 0.8761 |
108 | 3TV | 0.8761 |
109 | 5RO | 0.8759 |
110 | 5GV | 0.8756 |
111 | 4R1 | 0.8752 |
112 | PNP | 0.8749 |
113 | L7T | 0.8746 |
114 | 92O | 0.8743 |
115 | PXP | 0.8742 |
116 | E3D | 0.8735 |
117 | 8WO | 0.8733 |
118 | 9BF | 0.8732 |
119 | 3LJ | 0.8730 |
120 | RVE | 0.8729 |
121 | E7R | 0.8728 |
122 | XFE | 0.8726 |
123 | YTX | 0.8726 |
124 | PZP | 0.8724 |
125 | DDU | 0.8722 |
126 | 1FD | 0.8721 |
127 | IAC | 0.8721 |
128 | JF2 | 0.8720 |
129 | TRP | 0.8718 |
130 | TWO | 0.8716 |
131 | 3Y7 | 0.8714 |
132 | DHY | 0.8708 |
133 | NFM | 0.8707 |
134 | 3C4 | 0.8706 |
135 | JXK | 0.8705 |
136 | JYT | 0.8704 |
137 | IOP | 0.8700 |
138 | JXW | 0.8691 |
139 | GSY | 0.8688 |
140 | 7MX | 0.8686 |
141 | MPP | 0.8684 |
142 | AC2 | 0.8683 |
143 | B56 | 0.8683 |
144 | NEU | 0.8682 |
145 | 57O | 0.8682 |
146 | GRX | 0.8679 |
147 | NCV | 0.8679 |
148 | 7B3 | 0.8677 |
149 | JXZ | 0.8675 |
150 | HHT | 0.8672 |
151 | GWM | 0.8668 |
152 | K68 | 0.8666 |
153 | KF5 | 0.8665 |
154 | L1O | 0.8662 |
155 | 4OG | 0.8660 |
156 | 3XR | 0.8658 |
157 | THM | 0.8657 |
158 | ST3 | 0.8656 |
159 | P0P | 0.8654 |
160 | ST1 | 0.8651 |
161 | M5H | 0.8648 |
162 | MCY | 0.8644 |
163 | CFA | 0.8643 |
164 | B86 | 0.8641 |
165 | 4AB | 0.8639 |
166 | 6DP | 0.8628 |
167 | CR1 | 0.8628 |
168 | MPU | 0.8627 |
169 | NVU | 0.8625 |
170 | 2QC | 0.8624 |
171 | 1HN | 0.8622 |
172 | M6P | 0.8622 |
173 | YKG | 0.8617 |
174 | DTE | 0.8614 |
175 | S24 | 0.8611 |
176 | 3D1 | 0.8611 |
177 | VPU | 0.8611 |
178 | A6P | 0.8609 |
179 | PTS | 0.8609 |
180 | 9GP | 0.8594 |
181 | SDF | 0.8578 |
182 | D6G | 0.8575 |
183 | 5MD | 0.8573 |
184 | PQK | 0.8562 |
185 | ZYX | 0.8554 |
186 | JY2 | 0.8554 |
187 | 2O8 | 0.8552 |
188 | K3Q | 0.8549 |
189 | EUH | 0.8545 |
190 | EXL | 0.8537 |
191 | DY5 | 0.8535 |
192 | BY5 | 0.8530 |
193 | ID2 | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 5b2e.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5b2e.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5b2e.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |