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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 3 families. | |||||
1 | 2QVN | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
2 | 2PGF | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
3 | 3EWD | Ki = 4100 nM | MCF | C12 H18 N4 O4 S | CSC[C@@H]1.... |
4 | 3EWC | Ki = 20 nM | MCF | C12 H18 N4 O4 S | CSC[C@@H]1.... |
5 | 2PGR | - | DCF | C11 H16 N4 O4 | c1nc2c(n1[.... |
6 | 6II7 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2QVN | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
2 | 2PGF | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
3 | 3EWD | Ki = 4100 nM | MCF | C12 H18 N4 O4 S | CSC[C@@H]1.... |
4 | 3EWC | Ki = 20 nM | MCF | C12 H18 N4 O4 S | CSC[C@@H]1.... |
5 | 2PGR | - | DCF | C11 H16 N4 O4 | c1nc2c(n1[.... |
6 | 6II7 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GNG | 0.9662 |
2 | PRH | 0.9525 |
3 | ADN | 0.9519 |
4 | HPR | 0.9497 |
5 | GMP | 0.9463 |
6 | NOS | 0.9441 |
7 | 5AD | 0.9399 |
8 | A | 0.9397 |
9 | IMH | 0.9396 |
10 | MDR | 0.9389 |
11 | 1DA | 0.9366 |
12 | FMB | 0.9346 |
13 | CTE | 0.9344 |
14 | FMC | 0.9327 |
15 | UA2 | 0.9323 |
16 | 7D7 | 0.9321 |
17 | 5F1 | 0.9310 |
18 | TBN | 0.9308 |
19 | 2FD | 0.9306 |
20 | 5FD | 0.9304 |
21 | MTP | 0.9300 |
22 | THM | 0.9300 |
23 | 2FA | 0.9292 |
24 | 9DI | 0.9289 |
25 | 3BH | 0.9280 |
26 | RAB | 0.9280 |
27 | PUR | 0.9269 |
28 | 5ID | 0.9267 |
29 | Y3J | 0.9254 |
30 | AD3 | 0.9251 |
31 | IMG | 0.9251 |
32 | MTA | 0.9247 |
33 | CDY | 0.9233 |
34 | NWW | 0.9227 |
35 | DBM | 0.9227 |
36 | 8OX | 0.9213 |
37 | 8HG | 0.9212 |
38 | 5UD | 0.9205 |
39 | 5MD | 0.9205 |
40 | 6CR | 0.9203 |
41 | TAL | 0.9201 |
42 | 5NB | 0.9199 |
43 | XYA | 0.9186 |
44 | 6MD | 0.9184 |
45 | 5N5 | 0.9180 |
46 | H7S | 0.9166 |
47 | EKH | 0.9165 |
48 | 5BT | 0.9157 |
49 | 0DN | 0.9155 |
50 | GA2 | 0.9150 |
51 | FM2 | 0.9142 |
52 | 13A | 0.9137 |
53 | MTI | 0.9133 |
54 | 5CD | 0.9126 |
55 | A4D | 0.9125 |
56 | MCY | 0.9124 |
57 | 4UO | 0.9124 |
58 | MTM | 0.9121 |
59 | SCT | 0.9118 |
60 | B86 | 0.9114 |
61 | FTU | 0.9111 |
62 | RPP | 0.9110 |
63 | ZYV | 0.9106 |
64 | MG7 | 0.9105 |
65 | RFZ | 0.9094 |
66 | F01 | 0.9080 |
67 | 26A | 0.9080 |
68 | 3AD | 0.9079 |
69 | 3DT | 0.9074 |
70 | ID2 | 0.9062 |
71 | TRP | 0.9059 |
72 | FM1 | 0.9057 |
73 | HBI | 0.9056 |
74 | DTE | 0.9052 |
75 | PE2 | 0.9052 |
76 | AHU | 0.9028 |
77 | MTH | 0.9021 |
78 | 6ZW | 0.9000 |
79 | TMC | 0.8997 |
80 | DBS | 0.8996 |
81 | DTR | 0.8984 |
82 | XTS | 0.8968 |
83 | ARJ | 0.8947 |
84 | 9UL | 0.8943 |
85 | 5I5 | 0.8933 |
86 | CC5 | 0.8929 |
87 | 2QV | 0.8924 |
88 | URI | 0.8924 |
89 | DUR | 0.8914 |
90 | DCZ | 0.8910 |
91 | 092 | 0.8905 |
92 | 4GU | 0.8896 |
93 | 8DA | 0.8887 |
94 | 7CI | 0.8873 |
95 | NNR | 0.8859 |
96 | XYP AHR | 0.8855 |
97 | 2QU | 0.8846 |
98 | H4B | 0.8840 |
99 | BVD | 0.8838 |
100 | THU | 0.8837 |
101 | B5A | 0.8835 |
102 | ZAS | 0.8829 |
103 | MR6 | 0.8828 |
104 | HO4 | 0.8828 |
105 | NEC | 0.8820 |
106 | 0SY | 0.8819 |
107 | NOC | 0.8817 |
108 | 5BX | 0.8809 |
109 | 96Z | 0.8805 |
110 | NEO | 0.8804 |
111 | ACE TRP | 0.8795 |
112 | 4OG | 0.8794 |
113 | C4E | 0.8793 |
114 | EXL | 0.8792 |
115 | 3IL | 0.8781 |
116 | NQ7 | 0.8778 |
117 | 7L4 | 0.8774 |
118 | 5E5 | 0.8769 |
119 | GL6 | 0.8769 |
120 | 92O | 0.8761 |
121 | 0OK | 0.8759 |
122 | SGP | 0.8757 |
123 | TO1 | 0.8754 |
124 | 2P3 | 0.8753 |
125 | MZR | 0.8751 |
126 | 0DF | 0.8749 |
127 | BIO | 0.8744 |
128 | 5JT | 0.8743 |
129 | W29 | 0.8739 |
130 | ZYW | 0.8737 |
131 | 7AP | 0.8737 |
132 | MPU | 0.8735 |
133 | AFX | 0.8730 |
134 | QQX | 0.8727 |
135 | 5NN | 0.8726 |
136 | 833 | 0.8725 |
137 | TR7 | 0.8722 |
138 | AOJ | 0.8722 |
139 | BBY | 0.8719 |
140 | P4L | 0.8719 |
141 | 3WN | 0.8715 |
142 | 3WO | 0.8715 |
143 | QQY | 0.8713 |
144 | ITW | 0.8711 |
145 | AVX | 0.8707 |
146 | ZIQ | 0.8704 |
147 | ZRK | 0.8701 |
148 | 3RP | 0.8699 |
149 | IOS | 0.8696 |
150 | LL1 | 0.8694 |
151 | NIY | 0.8692 |
152 | WCU | 0.8692 |
153 | KP2 | 0.8686 |
154 | 5B2 | 0.8682 |
155 | 0FR | 0.8682 |
156 | II4 | 0.8679 |
157 | F40 | 0.8671 |
158 | DXK | 0.8669 |
159 | ACK | 0.8665 |
160 | GZV | 0.8654 |
161 | EAT | 0.8652 |
162 | XIF XYP | 0.8650 |
163 | 9CE | 0.8643 |
164 | M5H | 0.8640 |
165 | SGV | 0.8637 |
166 | XYP XIF | 0.8634 |
167 | H2B | 0.8633 |
168 | JMQ | 0.8633 |
169 | 5WK | 0.8633 |
170 | PCQ | 0.8623 |
171 | NEU | 0.8621 |
172 | PIQ | 0.8616 |
173 | NAL | 0.8608 |
174 | 28B | 0.8608 |
175 | RSV | 0.8605 |
176 | 1Q4 | 0.8598 |
177 | 78U | 0.8597 |
178 | DNB | 0.8594 |
179 | 2JX | 0.8587 |
180 | KWB | 0.8580 |
181 | AR3 | 0.8580 |
182 | 4G2 | 0.8579 |
183 | Z8B | 0.8575 |
184 | Q9T | 0.8564 |
185 | 4AB | 0.8562 |
186 | TIA | 0.8558 |
187 | 7EH | 0.8557 |
188 | EAJ | 0.8552 |
189 | 1SF | 0.8547 |
190 | MBY | 0.8546 |
191 | XYS XYP | 0.8534 |
192 | 42R | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 3ewc.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |