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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 5 families. | |||||
1 | 2I80 | Ki = 4 uM | G1L | C12 H13 Cl F3 N O | CC(C)(CCl).... |
2 | 2I8C | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 3N8D | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2I80 | Ki = 4 uM | G1L | C12 H13 Cl F3 N O | CC(C)(CCl).... |
2 | 2I8C | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 3N8D | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
4 | 5BPF | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
5 | 5C1O | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
6 | 5BPH | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
7 | 5C1P | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
8 | 6U1I | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
9 | 6U1H | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
10 | 6U1J | - | DAL | C3 H7 N O2 | C[C@H](C(=.... |
11 | 6U1K | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
12 | 6U1F | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
13 | 6U1D | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
14 | 6U1E | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
15 | 6U1G | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
16 | 1EHI | - | PHY | C6 H15 N O7 P2 | C[C@@H](C[.... |
17 | 1IOW | - | PHY | C6 H15 N O7 P2 | C[C@@H](C[.... |
18 | 1IOV | - | POB | C6 H15 N O8 P2 | CC[C@H](C(.... |
19 | 2DLN | - | PHY | C6 H15 N O7 P2 | C[C@@H](C[.... |
20 | 4L1K | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
21 | 4ME6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | G1L | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BIH | 0.9388 |
2 | 8EU | 0.9266 |
3 | A5Q | 0.9218 |
4 | EZL | 0.9172 |
5 | S62 | 0.9158 |
6 | NY4 | 0.9147 |
7 | GJG | 0.9137 |
8 | 6P3 | 0.9117 |
9 | 1EB | 0.9113 |
10 | IS2 | 0.9100 |
11 | BX4 | 0.9099 |
12 | JL7 | 0.9088 |
13 | VGS | 0.9079 |
14 | A26 | 0.9071 |
15 | ZTW | 0.9059 |
16 | FBC | 0.9056 |
17 | 72D | 0.9028 |
18 | PQM | 0.9012 |
19 | LWA | 0.9007 |
20 | LO1 | 0.8989 |
21 | 72G | 0.8966 |
22 | RYY | 0.8964 |
23 | 8V8 | 0.8959 |
24 | 120 | 0.8957 |
25 | NDD | 0.8948 |
26 | CR4 | 0.8935 |
27 | G2V | 0.8932 |
28 | 4FC | 0.8928 |
29 | LR8 | 0.8927 |
30 | 124 | 0.8910 |
31 | 397 | 0.8909 |
32 | OLU | 0.8908 |
33 | 801 | 0.8907 |
34 | PIC | 0.8906 |
35 | 0F3 | 0.8905 |
36 | LC1 | 0.8897 |
37 | JMG | 0.8884 |
38 | PTR | 0.8881 |
39 | 0UL | 0.8880 |
40 | M28 | 0.8874 |
41 | DT7 | 0.8873 |
42 | BC5 | 0.8869 |
43 | D25 | 0.8865 |
44 | U55 | 0.8865 |
45 | VFM | 0.8863 |
46 | 5OR | 0.8860 |
47 | 121 | 0.8857 |
48 | RYV | 0.8848 |
49 | B15 | 0.8847 |
50 | 4UM | 0.8846 |
51 | 4AF | 0.8845 |
52 | 6DH | 0.8842 |
53 | LZ4 | 0.8831 |
54 | 833 | 0.8830 |
55 | 72E | 0.8830 |
56 | 9NB | 0.8830 |
57 | 5M2 | 0.8822 |
58 | 122 | 0.8821 |
59 | 109 | 0.8819 |
60 | 613 | 0.8819 |
61 | RSV | 0.8817 |
62 | BMZ | 0.8817 |
63 | VFJ | 0.8809 |
64 | 5TU | 0.8801 |
65 | VC3 | 0.8800 |
66 | KHP | 0.8795 |
67 | 7EH | 0.8794 |
68 | TID | 0.8793 |
69 | AD6 | 0.8791 |
70 | 6T5 | 0.8791 |
71 | PTB | 0.8787 |
72 | MKN | 0.8784 |
73 | 6H2 | 0.8783 |
74 | WW3 | 0.8781 |
75 | TEF | 0.8776 |
76 | 0LA | 0.8773 |
77 | 5VU | 0.8772 |
78 | 2P3 | 0.8766 |
79 | QBP | 0.8765 |
80 | JCZ | 0.8765 |
81 | J2N | 0.8763 |
82 | D26 | 0.8761 |
83 | 3VS | 0.8761 |
84 | PQS | 0.8756 |
85 | ESJ | 0.8756 |
86 | BON | 0.8756 |
87 | LOT | 0.8753 |
88 | 4CN | 0.8752 |
89 | 7N8 | 0.8751 |
90 | 6SD | 0.8751 |
91 | 5TT | 0.8750 |
92 | 5SJ | 0.8747 |
93 | SJK | 0.8739 |
94 | WV7 | 0.8739 |
95 | D9Z | 0.8738 |
96 | C4E | 0.8729 |
97 | 4MB | 0.8727 |
98 | 245 | 0.8726 |
99 | HNT | 0.8726 |
100 | 7FZ | 0.8725 |
101 | KLE | 0.8722 |
102 | BFL | 0.8720 |
103 | 3W6 | 0.8711 |
104 | 3W3 | 0.8711 |
105 | C0V | 0.8707 |
106 | Q9T | 0.8706 |
107 | MR4 | 0.8703 |
108 | 4NP | 0.8702 |
109 | WA1 | 0.8702 |
110 | PIQ | 0.8701 |
111 | 2L1 | 0.8700 |
112 | S45 | 0.8699 |
113 | 1Q1 | 0.8699 |
114 | PNA | 0.8696 |
115 | 3VQ | 0.8695 |
116 | JAH | 0.8693 |
117 | 5TO | 0.8686 |
118 | J1K | 0.8686 |
119 | NFZ | 0.8685 |
120 | 2J1 | 0.8683 |
121 | MR5 | 0.8683 |
122 | 1XS | 0.8680 |
123 | 8D6 | 0.8680 |
124 | S0D | 0.8679 |
125 | CX6 | 0.8676 |
126 | 20N | 0.8672 |
127 | CT0 | 0.8665 |
128 | 7G0 | 0.8665 |
129 | 68B | 0.8661 |
130 | 5E5 | 0.8660 |
131 | JTK | 0.8660 |
132 | PNP | 0.8654 |
133 | SWX | 0.8652 |
134 | 0DF | 0.8647 |
135 | 6C9 | 0.8647 |
136 | 0NJ | 0.8644 |
137 | MR6 | 0.8643 |
138 | J3B | 0.8642 |
139 | EST | 0.8627 |
140 | NPX | 0.8627 |
141 | SNV | 0.8625 |
142 | AVX | 0.8625 |
143 | IJ6 | 0.8623 |
144 | 17M | 0.8622 |
145 | M4N | 0.8621 |
146 | NPS | 0.8618 |
147 | 6DQ | 0.8617 |
148 | WCU | 0.8617 |
149 | RZ0 | 0.8617 |
150 | EAT | 0.8616 |
151 | C5F | 0.8613 |
152 | JA5 | 0.8612 |
153 | JBZ | 0.8610 |
154 | RYJ | 0.8608 |
155 | G14 | 0.8607 |
156 | 2OX | 0.8604 |
157 | 108 | 0.8602 |
158 | 47X | 0.8596 |
159 | 7G2 | 0.8592 |
160 | 1OT | 0.8588 |
161 | 6QT | 0.8583 |
162 | 5SD | 0.8582 |
163 | 4AU | 0.8581 |
164 | STV | 0.8575 |
165 | 0OO | 0.8572 |
166 | 2JX | 0.8572 |
167 | A8D | 0.8571 |
168 | IBP | 0.8571 |
169 | T1N | 0.8567 |
170 | ZZA | 0.8562 |
171 | AON | 0.8562 |
172 | JTE | 0.8551 |
173 | 2D2 | 0.8548 |
174 | VFG | 0.8547 |
175 | 1HP | 0.8543 |
176 | 5H6 | 0.8542 |
177 | ZEC | 0.8541 |
178 | 4FE | 0.8537 |
179 | RDV | 0.8534 |
180 | F40 | 0.8530 |
181 | YZ9 | 0.8527 |
182 | FLP | 0.8517 |
183 | MI2 | 0.8509 |
This union binding pocket(no: 1) in the query (biounit: 2i80.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2i80.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |