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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 2 families. | |||||
1 | 3B9G | Ki = 19 uM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 3EPW | Ki = 4.4 nM | JMQ | C12 H16 N4 O4 | c1c(c2c([n.... |
3 | 2FF1 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 1KIC | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
5 | 1R4F | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
6 | 1KIE | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
7 | 3EPX | Ki = 10.8 nM | IMQ | C15 H18 N2 O3 | c1cc2cccnc.... |
8 | 1HP0 | Ki = 0.2 uM | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
9 | 2FF2 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
10 | 4I71 | Ki = 18 nM | AGV | C12 H17 N5 O3 | c1c(c2c([n.... |
11 | 4I74 | - | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
12 | 4I73 | Ki = 190 nM | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
13 | 4I72 | Ki = 0.9 nM | UA2 | C11 H15 N5 O3 | c1c(c2c([n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3B9G | Ki = 19 uM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 3EPW | Ki = 4.4 nM | JMQ | C12 H16 N4 O4 | c1c(c2c([n.... |
3 | 2FF1 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 1KIC | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
5 | 1R4F | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
6 | 1KIE | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
7 | 3EPX | Ki = 10.8 nM | IMQ | C15 H18 N2 O3 | c1cc2cccnc.... |
8 | 1HP0 | Ki = 0.2 uM | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
9 | 2FF2 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
10 | 4I71 | Ki = 18 nM | AGV | C12 H17 N5 O3 | c1c(c2c([n.... |
11 | 4I74 | - | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
12 | 4I73 | Ki = 190 nM | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
13 | 4I72 | Ki = 0.9 nM | UA2 | C11 H15 N5 O3 | c1c(c2c([n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADN | 0.9903 |
2 | NOS | 0.9864 |
3 | 5AD | 0.9800 |
4 | FMC | 0.9740 |
5 | 5N5 | 0.9736 |
6 | PRH | 0.9733 |
7 | GMP | 0.9720 |
8 | MTA | 0.9705 |
9 | MDR | 0.9691 |
10 | 5ID | 0.9682 |
11 | 1DA | 0.9678 |
12 | TBN | 0.9676 |
13 | NWW | 0.9666 |
14 | 3D1 | 0.9656 |
15 | CL9 | 0.9639 |
16 | HPR | 0.9616 |
17 | 5FD | 0.9604 |
18 | A | 0.9590 |
19 | SNI | 0.9589 |
20 | MTP | 0.9586 |
21 | 5F1 | 0.9571 |
22 | A4D | 0.9570 |
23 | AD3 | 0.9567 |
24 | FTU | 0.9555 |
25 | 3AD | 0.9541 |
26 | 5CD | 0.9540 |
27 | Y3J | 0.9529 |
28 | 6MD | 0.9522 |
29 | EKH | 0.9498 |
30 | F01 | 0.9495 |
31 | 4UO | 0.9483 |
32 | GNG | 0.9481 |
33 | PUR | 0.9468 |
34 | XYA | 0.9465 |
35 | THM | 0.9460 |
36 | 5UD | 0.9443 |
37 | AFX | 0.9428 |
38 | FMB | 0.9419 |
39 | 3BH | 0.9409 |
40 | 0DN | 0.9403 |
41 | MG7 | 0.9399 |
42 | NWQ | 0.9393 |
43 | CFE | 0.9376 |
44 | 5NB | 0.9373 |
45 | 9DI | 0.9370 |
46 | CTN | 0.9367 |
47 | DBM | 0.9367 |
48 | 5I5 | 0.9366 |
49 | 2FA | 0.9363 |
50 | 5BT | 0.9347 |
51 | 8OX | 0.9344 |
52 | MCY | 0.9328 |
53 | DCF | 0.9323 |
54 | 7D7 | 0.9316 |
55 | RFZ | 0.9304 |
56 | SCT | 0.9302 |
57 | 5MD | 0.9301 |
58 | URI | 0.9294 |
59 | 8HG | 0.9282 |
60 | B86 | 0.9278 |
61 | ZJB | 0.9256 |
62 | ZAS | 0.9250 |
63 | 7CI | 0.9244 |
64 | NOC | 0.9241 |
65 | H7S | 0.9239 |
66 | MCF | 0.9234 |
67 | CC5 | 0.9234 |
68 | ARJ | 0.9229 |
69 | DUR | 0.9229 |
70 | ID2 | 0.9219 |
71 | TAL | 0.9209 |
72 | 2FD | 0.9208 |
73 | 3L1 | 0.9208 |
74 | CDY | 0.9199 |
75 | I5A | 0.9199 |
76 | FM1 | 0.9193 |
77 | CTD | 0.9193 |
78 | MTH | 0.9192 |
79 | DCZ | 0.9192 |
80 | MZR | 0.9187 |
81 | 3DT | 0.9184 |
82 | RPP | 0.9180 |
83 | FM2 | 0.9168 |
84 | 26A | 0.9168 |
85 | GA2 | 0.9145 |
86 | AOC | 0.9140 |
87 | RAB | 0.9110 |
88 | 5AE | 0.9109 |
89 | JMQ | 0.9109 |
90 | MBY | 0.9104 |
91 | URD | 0.9099 |
92 | KF5 | 0.9086 |
93 | XYP XYS | 0.9085 |
94 | TYU | 0.9077 |
95 | 6J3 | 0.9071 |
96 | GEO | 0.9070 |
97 | NEC | 0.9065 |
98 | TIA | 0.9059 |
99 | NEO | 0.9054 |
100 | EP4 | 0.9044 |
101 | THU | 0.9040 |
102 | XYP AHR | 0.9035 |
103 | UUA | 0.9035 |
104 | 6CR | 0.9018 |
105 | 3DH | 0.9014 |
106 | MTM | 0.9010 |
107 | HO4 | 0.9010 |
108 | AMP | 0.9007 |
109 | AGV | 0.9001 |
110 | ZYV | 0.8988 |
111 | ZEB | 0.8988 |
112 | MTI | 0.8985 |
113 | XTS | 0.8978 |
114 | LLT | 0.8976 |
115 | XYP XDN | 0.8969 |
116 | CTE | 0.8968 |
117 | XYS XYP | 0.8968 |
118 | TR7 | 0.8965 |
119 | TO1 | 0.8962 |
120 | XYP XYP | 0.8953 |
121 | 2TU | 0.8948 |
122 | ID8 | 0.8944 |
123 | 9UL | 0.8944 |
124 | ACK | 0.8936 |
125 | TLF | 0.8924 |
126 | DDU | 0.8923 |
127 | JF8 | 0.8921 |
128 | TRP | 0.8918 |
129 | AR3 | 0.8917 |
130 | A3N | 0.8915 |
131 | 13A | 0.8905 |
132 | XYS XYS | 0.8905 |
133 | XIL | 0.8896 |
134 | H4B | 0.8888 |
135 | BVD | 0.8887 |
136 | SGP | 0.8887 |
137 | XDN XYP | 0.8886 |
138 | QQY | 0.8885 |
139 | XIF XYP | 0.8884 |
140 | QQX | 0.8880 |
141 | IMQ | 0.8873 |
142 | 92O | 0.8867 |
143 | HBI | 0.8867 |
144 | DBS | 0.8865 |
145 | B5A | 0.8862 |
146 | DHZ | 0.8860 |
147 | BIO | 0.8858 |
148 | PE2 | 0.8842 |
149 | 8DA | 0.8837 |
150 | NQ7 | 0.8829 |
151 | TIZ | 0.8825 |
152 | ZIQ | 0.8821 |
153 | 5JT | 0.8821 |
154 | WV7 | 0.8820 |
155 | XYP XIF | 0.8813 |
156 | 5P7 | 0.8812 |
157 | NNR | 0.8811 |
158 | 22L | 0.8810 |
159 | RBV | 0.8803 |
160 | XDL XYP | 0.8801 |
161 | BRD | 0.8800 |
162 | OCZ | 0.8796 |
163 | EXX | 0.8782 |
164 | DTE | 0.8782 |
165 | BGC GLC | 0.8780 |
166 | 0GA | 0.8780 |
167 | ACE TRP | 0.8778 |
168 | M02 | 0.8768 |
169 | IMP | 0.8768 |
170 | SGV | 0.8764 |
171 | DTR | 0.8763 |
172 | RR7 GLC | 0.8758 |
173 | 7AP | 0.8758 |
174 | 78U | 0.8755 |
175 | MPU | 0.8750 |
176 | JY4 | 0.8749 |
177 | 3IP | 0.8745 |
178 | JVQ | 0.8744 |
179 | DBQ | 0.8740 |
180 | H2B | 0.8739 |
181 | AZZ | 0.8738 |
182 | NIR | 0.8736 |
183 | JA3 | 0.8729 |
184 | NEU | 0.8724 |
185 | DNQ | 0.8722 |
186 | 5BX | 0.8714 |
187 | B21 | 0.8710 |
188 | 2GD | 0.8707 |
189 | Z15 | 0.8691 |
190 | EQU | 0.8688 |
191 | 4GU | 0.8688 |
192 | BGC GAL | 0.8685 |
193 | EXR | 0.8683 |
194 | CNI | 0.8682 |
195 | 4OG | 0.8681 |
196 | HRM | 0.8679 |
197 | QMR | 0.8679 |
198 | 6ZW | 0.8672 |
199 | DGO Z61 | 0.8668 |
200 | MFR | 0.8667 |
201 | 5E4 | 0.8662 |
202 | 5GP | 0.8658 |
203 | GAL FUC | 0.8656 |
204 | 6J5 | 0.8651 |
205 | JP2 | 0.8646 |
206 | 1ZC | 0.8646 |
207 | ITW | 0.8635 |
208 | 5ER | 0.8630 |
209 | IRP | 0.8629 |
210 | GZV | 0.8626 |
211 | KL2 | 0.8623 |
212 | GLC IFM | 0.8612 |
213 | EXL | 0.8612 |
214 | DAH | 0.8611 |
215 | ALN | 0.8609 |
216 | LOX XYP | 0.8602 |
217 | 51Y | 0.8601 |
218 | X11 | 0.8600 |
219 | 4AB | 0.8599 |
220 | MXD | 0.8595 |
221 | 96Z | 0.8590 |
222 | FT6 | 0.8587 |
223 | SY4 | 0.8583 |
224 | 3Y7 | 0.8582 |
225 | CJZ | 0.8581 |
226 | 0HY | 0.8572 |
227 | 2UD | 0.8566 |
228 | 4Z9 | 0.8562 |
229 | PIR | 0.8560 |
230 | 88R | 0.8543 |
231 | 27M | 0.8535 |
232 | Z16 | 0.8532 |
233 | II4 | 0.8524 |
234 | V1T | 0.8523 |
This union binding pocket(no: 1) in the query (biounit: 4i71.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1YOE | RIB | 33.5404 |
This union binding pocket(no: 2) in the query (biounit: 4i71.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |