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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 4M7F | - | BM3 | C8 H15 N O6 | CC(=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 | 4M7F | - | BM3 | C8 H15 N O6 | CC(=O)N[C@.... |
2 | 2J0Y | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
3 | 2J1G | - | SC2 | C5 H9 N O3 S | CC(=O)N[C@.... |
4 | 4R9J | - | 3LJ | C6 H13 N O8 S | C([C@@H]1[.... |
5 | 4NYT | Kd = 3.7 mM | PC | C5 H15 N O4 P | C[N+](C)(C.... |
6 | 2J3U | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
7 | 2J60 | - | ABE | C6 H12 O4 | C[C@@H]1[C.... |
8 | 2J5Z | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
9 | 1JC9 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
10 | 2JHI | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
11 | 2JHL | - | SLB | C11 H19 N O9 | CC(=O)N[C@.... |
12 | 2JHK | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A2G | 1 | 1 |
2 | HSQ | 1 | 1 |
3 | NAG | 1 | 1 |
4 | NGA | 1 | 1 |
5 | BM3 | 1 | 1 |
6 | NDG | 1 | 1 |
7 | BGN | 0.638298 | 0.888889 |
8 | SIZ | 0.630435 | 0.906977 |
9 | YX1 | 0.625 | 0.65 |
10 | STZ | 0.612245 | 0.65 |
11 | 16G | 0.591837 | 0.735849 |
12 | 4QY | 0.591837 | 0.735849 |
13 | BMX | 0.591837 | 0.735849 |
14 | 9C1 | 0.58 | 0.886364 |
15 | SNG | 0.5625 | 0.866667 |
16 | NG6 | 0.54902 | 0.661017 |
17 | NGS | 0.54902 | 0.661017 |
18 | GDL NAG | 0.54386 | 0.833333 |
19 | ASG | 0.538462 | 0.661017 |
20 | BG8 | 0.537037 | 0.906977 |
21 | MAG | 0.530612 | 0.909091 |
22 | 2F8 | 0.530612 | 0.909091 |
23 | NAG GAL | 0.517857 | 0.888889 |
24 | 4V5 | 0.517241 | 0.829787 |
25 | A2G NAG | 0.517241 | 0.833333 |
26 | MAN NAG | 0.508772 | 0.888889 |
27 | 4UZ | 0.508475 | 0.808511 |
28 | NAG NAG NAG NAG NAG | 0.508197 | 0.816327 |
29 | NAG NAG NAG NAG NAG NAG | 0.508197 | 0.816327 |
30 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.508197 | 0.816327 |
31 | NDG NAG NAG NAG NAG | 0.508197 | 0.816327 |
32 | MQG | 0.5 | 0.698113 |
33 | NBG | 0.5 | 0.951219 |
34 | BMX BMX BMX BM3 | 0.5 | 0.701754 |
35 | A2G GAL | 0.491228 | 0.888889 |
36 | AMU | 0.490909 | 0.930233 |
37 | NG1 | 0.490566 | 0.754717 |
38 | GN1 | 0.490566 | 0.754717 |
39 | NDG NAG | 0.47541 | 0.816327 |
40 | GAL NAG | 0.459016 | 0.888889 |
41 | NAG GAL NAG | 0.455882 | 0.833333 |
42 | NAG FUC | 0.45 | 0.888889 |
43 | 3YW | 0.448276 | 0.930233 |
44 | NAG GAL GAL | 0.446154 | 0.888889 |
45 | NAG NAG | 0.430769 | 0.816327 |
46 | GAL NGA | 0.428571 | 0.869565 |
47 | NAG G6S | 0.426471 | 0.645161 |
48 | NAG GAL FUC A2G | 0.426471 | 0.869565 |
49 | GYU | 0.42623 | 0.740741 |
50 | SER A2G | 0.42623 | 0.816327 |
51 | TNR | 0.42623 | 0.833333 |
52 | GAL NGA A2G | 0.424242 | 0.833333 |
53 | NAG BDP | 0.421875 | 0.851064 |
54 | MBG NAG | 0.419355 | 0.851064 |
55 | BGC GAL NGA | 0.41791 | 0.888889 |
56 | AZC | 0.415094 | 0.795918 |
57 | SN5 SN5 | 0.412698 | 0.705882 |
58 | MBG A2G | 0.412698 | 0.851064 |
59 | 6ZC | 0.409091 | 0.655738 |
60 | LEC | 0.409091 | 0.655738 |
61 | NAG GAL BGC GAL | 0.408451 | 0.888889 |
62 | NAG NAG NAG TMX | 0.408451 | 0.689655 |
63 | GLC | 0.404762 | 0.7 |
64 | GAL | 0.404762 | 0.7 |
65 | GIV | 0.404762 | 0.7 |
66 | BGC | 0.404762 | 0.7 |
67 | BMA | 0.404762 | 0.7 |
68 | WOO | 0.404762 | 0.7 |
69 | GAL GAL | 0.404762 | 0.7 |
70 | GLA | 0.404762 | 0.7 |
71 | MAN | 0.404762 | 0.7 |
72 | ALL | 0.404762 | 0.7 |
73 | BGC GAL | 0.404762 | 0.7 |
74 | GLC GLC | 0.404762 | 0.7 |
75 | GXL | 0.404762 | 0.7 |
76 | A2G GAL NAG | 0.402778 | 0.833333 |
77 | AMU NAG | 0.402778 | 0.8 |
78 | BMA MAN NAG | 0.4 | 0.888889 |
79 | NAG GAL FUC | 0.4 | 0.869565 |
80 | GAL FUC A2G | 0.4 | 0.869565 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NOK | 0.9427 |
2 | GDL | 0.9405 |
3 | LTM | 0.9361 |
4 | LOG | 0.9360 |
5 | BEU | 0.9360 |
6 | I4D | 0.9198 |
7 | 2CZ | 0.9164 |
8 | HHT | 0.9112 |
9 | ZPF | 0.9092 |
10 | ALX | 0.9079 |
11 | 9R5 | 0.9058 |
12 | BNX | 0.9055 |
13 | ST3 | 0.9051 |
14 | F34 | 0.9050 |
15 | DJN | 0.9038 |
16 | 327 | 0.9038 |
17 | GC3 | 0.9036 |
18 | PQZ | 0.9030 |
19 | PQK | 0.9029 |
20 | ST2 | 0.9018 |
21 | S8A | 0.8992 |
22 | IFG | 0.8988 |
23 | S7G | 0.8979 |
24 | NGT | 0.8979 |
25 | H62 | 0.8978 |
26 | 86L | 0.8969 |
27 | LIP | 0.8964 |
28 | 57O | 0.8961 |
29 | L1Q | 0.8956 |
30 | PRF | 0.8947 |
31 | 505 | 0.8942 |
32 | KJ5 | 0.8942 |
33 | NGW | 0.8937 |
34 | 3C4 | 0.8929 |
35 | EPR | 0.8923 |
36 | BBK | 0.8920 |
37 | RH1 | 0.8918 |
38 | JXZ | 0.8915 |
39 | FWD | 0.8899 |
40 | GSY | 0.8895 |
41 | NGO | 0.8894 |
42 | 8WO | 0.8887 |
43 | 0QW | 0.8883 |
44 | 2UZ | 0.8883 |
45 | B62 | 0.8879 |
46 | IAC | 0.8878 |
47 | DHY | 0.8875 |
48 | 2GS | 0.8874 |
49 | 4RU | 0.8868 |
50 | 3XR | 0.8865 |
51 | 0FN | 0.8865 |
52 | X1P | 0.8864 |
53 | 0JD | 0.8862 |
54 | TNX | 0.8860 |
55 | MP5 | 0.8858 |
56 | G1P | 0.8849 |
57 | G6P | 0.8848 |
58 | 9H2 | 0.8846 |
59 | BDP | 0.8844 |
60 | IPD | 0.8844 |
61 | JWB | 0.8843 |
62 | X04 | 0.8839 |
63 | ARP | 0.8837 |
64 | S0G | 0.8837 |
65 | CWD | 0.8832 |
66 | SBK | 0.8832 |
67 | 3N1 | 0.8831 |
68 | APS | 0.8830 |
69 | 5WU | 0.8830 |
70 | GF4 | 0.8825 |
71 | JTH | 0.8824 |
72 | 3TV | 0.8822 |
73 | GFP | 0.8822 |
74 | GJP | 0.8820 |
75 | M1P | 0.8816 |
76 | 2CL | 0.8816 |
77 | S24 | 0.8813 |
78 | EV3 | 0.8812 |
79 | 54Z | 0.8810 |
80 | 289 | 0.8807 |
81 | JV4 | 0.8806 |
82 | NZ9 | 0.8805 |
83 | IWD | 0.8804 |
84 | 44V | 0.8800 |
85 | GCU | 0.8799 |
86 | GXY | 0.8797 |
87 | ISC | 0.8794 |
88 | BWD | 0.8793 |
89 | GCO | 0.8784 |
90 | HWD | 0.8781 |
91 | 4AA | 0.8778 |
92 | PYU | 0.8776 |
93 | HQ9 | 0.8773 |
94 | GP1 | 0.8771 |
95 | F52 | 0.8765 |
96 | IBM | 0.8763 |
97 | PXP | 0.8760 |
98 | PLP | 0.8760 |
99 | 5FN | 0.8758 |
100 | PMP | 0.8756 |
101 | CIP | 0.8756 |
102 | 2KA | 0.8754 |
103 | QLI | 0.8754 |
104 | W81 | 0.8753 |
105 | TLG | 0.8752 |
106 | K2Q | 0.8750 |
107 | ISD | 0.8749 |
108 | TWO | 0.8746 |
109 | TLE | 0.8746 |
110 | 3MG | 0.8742 |
111 | K82 | 0.8741 |
112 | GPM | 0.8741 |
113 | PFB | 0.8739 |
114 | CLU | 0.8739 |
115 | NOJ | 0.8739 |
116 | CS2 | 0.8733 |
117 | H5B | 0.8732 |
118 | JVA | 0.8730 |
119 | ZB1 | 0.8730 |
120 | 68A | 0.8730 |
121 | ZZZ | 0.8729 |
122 | BCU | 0.8727 |
123 | 3RI | 0.8726 |
124 | 3DM | 0.8726 |
125 | PFL | 0.8722 |
126 | OMD | 0.8722 |
127 | 9PY | 0.8722 |
128 | GF1 | 0.8719 |
129 | EMZ | 0.8709 |
130 | H6B | 0.8708 |
131 | AEZ | 0.8706 |
132 | ASC | 0.8705 |
133 | 15L | 0.8704 |
134 | GCB | 0.8698 |
135 | FUD | 0.8698 |
136 | NSG | 0.8698 |
137 | GNL | 0.8698 |
138 | CFA | 0.8691 |
139 | 948 | 0.8691 |
140 | E7R | 0.8691 |
141 | YTX | 0.8687 |
142 | 4WF | 0.8685 |
143 | GLO | 0.8684 |
144 | OIA | 0.8683 |
145 | 6FZ | 0.8682 |
146 | F6P | 0.8682 |
147 | MIG | 0.8679 |
148 | GC2 | 0.8678 |
149 | CH8 | 0.8676 |
150 | 6E8 | 0.8671 |
151 | ICT | 0.8668 |
152 | PLR | 0.8665 |
153 | TLM | 0.8662 |
154 | CN0 | 0.8661 |
155 | 1U6 | 0.8660 |
156 | L7T | 0.8659 |
157 | 2EC | 0.8658 |
158 | MTL | 0.8657 |
159 | VXX | 0.8656 |
160 | NFM | 0.8654 |
161 | 5NS | 0.8654 |
162 | FLC | 0.8652 |
163 | CIT | 0.8648 |
164 | JYT | 0.8643 |
165 | BNT | 0.8643 |
166 | KGK | 0.8636 |
167 | SOR | 0.8633 |
168 | M6P | 0.8632 |
169 | G3F | 0.8617 |
170 | FPL | 0.8617 |
171 | ST1 | 0.8615 |
172 | 9LI | 0.8614 |
173 | KG1 | 0.8614 |
174 | 27B | 0.8613 |
175 | 5NE | 0.8610 |
176 | UFO | 0.8610 |
177 | 0FK | 0.8609 |
178 | LGC | 0.8609 |
179 | 15N | 0.8607 |
180 | MJ5 | 0.8605 |
181 | ICB | 0.8598 |
182 | CPW | 0.8597 |
183 | JXW | 0.8596 |
184 | L21 | 0.8596 |
185 | EVA | 0.8595 |
186 | HA5 | 0.8595 |
187 | 1FD | 0.8584 |
188 | 2CG | 0.8584 |
189 | H4B | 0.8582 |
190 | TMG | 0.8581 |
191 | DEG | 0.8573 |
192 | 67Y | 0.8568 |
193 | JF2 | 0.8565 |
194 | GNM | 0.8563 |
195 | 0J5 | 0.8561 |
196 | 94B | 0.8556 |
197 | 4XV | 0.8556 |
198 | 2BX | 0.8544 |
199 | KBG | 0.8535 |
200 | 61M | 0.8534 |
201 | GIM | 0.8523 |
202 | TL6 | 0.8522 |
203 | 3LJ | 0.8522 |
This union binding pocket(no: 1) in the query (biounit: 4m7f.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4m7f.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4m7f.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4m7f.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 4m7f.bio2) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4m7f.bio2) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 4m7f.bio2) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 4m7f.bio2) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |