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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 3 families. | |||||
1 | 1KRM | - | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
2 | 1QXL | Ki = 11 nM | FR8 | C27 H31 N5 O3 | c1ccc(cc1).... |
3 | 1UML | Ki = 30 nM | FR4 | C25 H27 N5 O3 | c1ccc(cc1).... |
4 | 2E1W | Ki = 11 nM | FR6 | C19 H21 N3 O2 | C[C@@H]([C.... |
5 | 1WXY | - | FRK | C21 H22 N2 O3 S | CCCCCC(=O).... |
6 | 1NDV | Ki = 1.2 uM | FR0 | C16 H15 N7 S2 | c1ccc2c(c1.... |
7 | 1NDY | Ki = 0.68 uM | FR3 | C18 H19 N3 O2 | c1ccc2c(c1.... |
8 | 1O5R | Ki = 7.5 nM | FR9 | C24 H26 N6 O3 | c1ccc(cc1).... |
9 | 1NDW | Ki = 5.9 uM | FR2 | C14 H17 N3 O2 | c1ccc(cc1).... |
10 | 1V79 | Ki = 13 nM | FR7 | C15 H17 Cl2 N3 O2 | C[C@@H]([C.... |
11 | 1V7A | Ki = 9.8 nM | FRC | C19 H21 N3 O3 | C[C@@H]([C.... |
12 | 1NDZ | Ki = 7.7 nM | FR5 | C27 H29 N7 O3 | Cn1c2ccccc.... |
13 | 2ADA | Ki ~ 0.1 pM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
14 | 1FKW | Ki = 9 uM | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
15 | 1UIO | Ki = 45 uM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
16 | 1ADD | Ki = 0.18 uM | 1DA | C11 H14 N4 O4 | c1cnc2c(c1.... |
17 | 1UIP | - | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
18 | 1A4M | Ki ~ 0.1 pM | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
19 | 1FKX | Ki = 6 mM | PRH | C10 H15 N4 O5 | 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 | 1KRM | - | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
2 | 1QXL | Ki = 11 nM | FR8 | C27 H31 N5 O3 | c1ccc(cc1).... |
3 | 1UML | Ki = 30 nM | FR4 | C25 H27 N5 O3 | c1ccc(cc1).... |
4 | 2E1W | Ki = 11 nM | FR6 | C19 H21 N3 O2 | C[C@@H]([C.... |
5 | 1WXY | - | FRK | C21 H22 N2 O3 S | CCCCCC(=O).... |
6 | 1NDV | Ki = 1.2 uM | FR0 | C16 H15 N7 S2 | c1ccc2c(c1.... |
7 | 1NDY | Ki = 0.68 uM | FR3 | C18 H19 N3 O2 | c1ccc2c(c1.... |
8 | 1O5R | Ki = 7.5 nM | FR9 | C24 H26 N6 O3 | c1ccc(cc1).... |
9 | 1NDW | Ki = 5.9 uM | FR2 | C14 H17 N3 O2 | c1ccc(cc1).... |
10 | 1V79 | Ki = 13 nM | FR7 | C15 H17 Cl2 N3 O2 | C[C@@H]([C.... |
11 | 1V7A | Ki = 9.8 nM | FRC | C19 H21 N3 O3 | C[C@@H]([C.... |
12 | 1NDZ | Ki = 7.7 nM | FR5 | C27 H29 N7 O3 | Cn1c2ccccc.... |
13 | 2ADA | Ki ~ 0.1 pM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
14 | 1FKW | Ki = 9 uM | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
15 | 1UIO | Ki = 45 uM | HPR | C10 H14 N4 O5 | c1nc2c(c(n.... |
16 | 1ADD | Ki = 0.18 uM | 1DA | C11 H14 N4 O4 | c1cnc2c(c1.... |
17 | 1UIP | - | PUR | C10 H13 N4 O4 | c1c2c(ncn1.... |
18 | 1A4M | Ki ~ 0.1 pM | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
19 | 1FKX | Ki = 6 mM | PRH | C10 H15 N4 O5 | c1[nH+]c2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PUR | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADN | 0.9808 |
2 | 1DA | 0.9794 |
3 | PRH | 0.9787 |
4 | HPR | 0.9759 |
5 | 5AD | 0.9665 |
6 | A4D | 0.9661 |
7 | FMB | 0.9613 |
8 | MDR | 0.9581 |
9 | DBM | 0.9555 |
10 | 5N5 | 0.9552 |
11 | A | 0.9548 |
12 | FMC | 0.9547 |
13 | 5FD | 0.9536 |
14 | CTN | 0.9530 |
15 | MTA | 0.9523 |
16 | NOS | 0.9508 |
17 | 8OX | 0.9504 |
18 | XYA | 0.9497 |
19 | 5CD | 0.9489 |
20 | URI | 0.9489 |
21 | F01 | 0.9482 |
22 | 9DI | 0.9480 |
23 | NWW | 0.9475 |
24 | 5UD | 0.9475 |
25 | UA2 | 0.9468 |
26 | THM | 0.9463 |
27 | NNR | 0.9455 |
28 | 3AD | 0.9453 |
29 | IMH | 0.9443 |
30 | 2FA | 0.9443 |
31 | GMP | 0.9441 |
32 | 6CR | 0.9438 |
33 | CFE | 0.9426 |
34 | TBN | 0.9425 |
35 | RPP | 0.9420 |
36 | TAL | 0.9415 |
37 | RAB | 0.9410 |
38 | FTU | 0.9402 |
39 | GNG | 0.9394 |
40 | 5ID | 0.9382 |
41 | 5NB | 0.9382 |
42 | ARJ | 0.9380 |
43 | 3D1 | 0.9378 |
44 | RFZ | 0.9377 |
45 | 2FD | 0.9376 |
46 | Y3J | 0.9375 |
47 | DNB | 0.9372 |
48 | AD3 | 0.9370 |
49 | 4UO | 0.9369 |
50 | CL9 | 0.9358 |
51 | 5F1 | 0.9345 |
52 | H7S | 0.9340 |
53 | EKH | 0.9331 |
54 | 2TU | 0.9320 |
55 | RBV | 0.9289 |
56 | AFX | 0.9275 |
57 | 0DN | 0.9270 |
58 | DCF | 0.9269 |
59 | MTH | 0.9268 |
60 | MTM | 0.9258 |
61 | MTP | 0.9252 |
62 | FM2 | 0.9245 |
63 | MTI | 0.9241 |
64 | TIA | 0.9241 |
65 | MZR | 0.9228 |
66 | 5I5 | 0.9227 |
67 | DCZ | 0.9226 |
68 | 5MD | 0.9220 |
69 | 6MD | 0.9219 |
70 | IMG | 0.9213 |
71 | NOC | 0.9207 |
72 | MCY | 0.9202 |
73 | 7D7 | 0.9190 |
74 | CC5 | 0.9189 |
75 | NWQ | 0.9187 |
76 | B86 | 0.9181 |
77 | CDY | 0.9178 |
78 | SCT | 0.9177 |
79 | RVD | 0.9162 |
80 | 9UL | 0.9162 |
81 | 5JT | 0.9153 |
82 | FM1 | 0.9128 |
83 | MG7 | 0.9125 |
84 | 0GA | 0.9124 |
85 | 5AE | 0.9117 |
86 | Q5M | 0.9115 |
87 | ZYV | 0.9114 |
88 | NIR | 0.9113 |
89 | ITW | 0.9103 |
90 | MCF | 0.9099 |
91 | TRP | 0.9084 |
92 | NQ7 | 0.9072 |
93 | M02 | 0.9057 |
94 | 3L1 | 0.9042 |
95 | 4GU | 0.9037 |
96 | 1SF | 0.9037 |
97 | ZAS | 0.9030 |
98 | TMC | 0.9028 |
99 | THU | 0.9016 |
100 | AHU | 0.9015 |
101 | X2M | 0.9004 |
102 | KWB | 0.9003 |
103 | ACE TRP | 0.9002 |
104 | HO4 | 0.9001 |
105 | 8HG | 0.9000 |
106 | M01 | 0.8992 |
107 | TO1 | 0.8992 |
108 | ZEB | 0.8986 |
109 | 7CI | 0.8970 |
110 | RVB | 0.8970 |
111 | BDJ | 0.8964 |
112 | HVE | 0.8963 |
113 | XYP XYS | 0.8952 |
114 | EAJ | 0.8951 |
115 | 092 | 0.8941 |
116 | 4OG | 0.8938 |
117 | 13A | 0.8936 |
118 | DTR | 0.8928 |
119 | 26A | 0.8928 |
120 | C0H | 0.8923 |
121 | HHV | 0.8923 |
122 | EXX | 0.8911 |
123 | EXG | 0.8911 |
124 | PIR | 0.8908 |
125 | AOJ | 0.8905 |
126 | Q4G | 0.8900 |
127 | VCE | 0.8896 |
128 | ZIQ | 0.8892 |
129 | KF5 | 0.8880 |
130 | EAT | 0.8880 |
131 | M5H | 0.8880 |
132 | NEC | 0.8879 |
133 | 1Q4 | 0.8878 |
134 | WCU | 0.8876 |
135 | CTE | 0.8875 |
136 | 3D8 | 0.8874 |
137 | A4V | 0.8874 |
138 | 3DH | 0.8871 |
139 | R9G | 0.8871 |
140 | TR7 | 0.8870 |
141 | RVC | 0.8868 |
142 | X11 | 0.8867 |
143 | 8P3 | 0.8864 |
144 | EXR | 0.8864 |
145 | DBS | 0.8862 |
146 | 5BX | 0.8859 |
147 | EXL | 0.8857 |
148 | H4B | 0.8856 |
149 | A4G | 0.8856 |
150 | 7ZL | 0.8854 |
151 | 5E4 | 0.8841 |
152 | Z8B | 0.8838 |
153 | K80 | 0.8838 |
154 | CMP | 0.8832 |
155 | 1FL | 0.8831 |
156 | SGV | 0.8822 |
157 | W29 | 0.8821 |
158 | 4K2 | 0.8819 |
159 | ID8 | 0.8818 |
160 | MXD | 0.8812 |
161 | 6TX | 0.8812 |
162 | XYP XDN | 0.8810 |
163 | XTS | 0.8809 |
164 | 0FR | 0.8806 |
165 | ZEZ | 0.8806 |
166 | 6J3 | 0.8796 |
167 | NIY | 0.8794 |
168 | PW1 | 0.8793 |
169 | ZYW | 0.8788 |
170 | CJZ | 0.8785 |
171 | DTE | 0.8785 |
172 | Z15 | 0.8784 |
173 | P2L | 0.8781 |
174 | C4E | 0.8780 |
175 | IOS | 0.8776 |
176 | KYN | 0.8773 |
177 | ACK | 0.8772 |
178 | 9PL | 0.8769 |
179 | 2GD | 0.8766 |
180 | WOE | 0.8765 |
181 | KCH | 0.8763 |
182 | 2DL | 0.8763 |
183 | XIF XYP | 0.8760 |
184 | 78U | 0.8751 |
185 | 28A | 0.8750 |
186 | LL1 | 0.8750 |
187 | AVX | 0.8748 |
188 | FT6 | 0.8743 |
189 | C2M | 0.8743 |
190 | XDN XYP | 0.8741 |
191 | GPK | 0.8740 |
192 | 8DA | 0.8737 |
193 | 17C | 0.8737 |
194 | XYS XYP | 0.8734 |
195 | LVY | 0.8733 |
196 | TCC | 0.8731 |
197 | Z57 | 0.8730 |
198 | W23 | 0.8730 |
199 | DK4 | 0.8727 |
200 | FY8 | 0.8721 |
201 | QQY | 0.8715 |
202 | JSX | 0.8713 |
203 | 1KN | 0.8712 |
204 | 6J5 | 0.8712 |
205 | EZN | 0.8711 |
206 | 4E5 | 0.8709 |
207 | SV4 | 0.8707 |
208 | BNY | 0.8706 |
209 | 3Y7 | 0.8706 |
210 | 0QV | 0.8696 |
211 | 3AK | 0.8693 |
212 | 3VW | 0.8693 |
213 | NE1 | 0.8689 |
214 | CX5 | 0.8689 |
215 | QQX | 0.8687 |
216 | DXK | 0.8687 |
217 | M0N | 0.8685 |
218 | B21 | 0.8680 |
219 | 0OO | 0.8679 |
220 | JMQ | 0.8675 |
221 | JGB | 0.8674 |
222 | 6ZW | 0.8674 |
223 | JF8 | 0.8674 |
224 | 2JX | 0.8670 |
225 | CJB | 0.8669 |
226 | XYP XIF | 0.8669 |
227 | BZE | 0.8669 |
228 | 3RP | 0.8668 |
229 | FLF | 0.8667 |
230 | XDL XYP | 0.8666 |
231 | DKX | 0.8664 |
232 | VBC | 0.8663 |
233 | ZMG | 0.8661 |
234 | CK2 | 0.8660 |
235 | XIL | 0.8660 |
236 | 159 | 0.8655 |
237 | GPQ | 0.8654 |
238 | CMU | 0.8653 |
239 | S0G | 0.8648 |
240 | QME | 0.8648 |
241 | 1ZC | 0.8646 |
242 | AWE | 0.8644 |
243 | MPU | 0.8641 |
244 | IMQ | 0.8636 |
245 | NEO | 0.8636 |
246 | WVV | 0.8635 |
247 | 39Z | 0.8633 |
248 | A3N | 0.8632 |
249 | PF1 | 0.8631 |
250 | ETV | 0.8628 |
251 | 50Q | 0.8626 |
252 | B4O | 0.8623 |
253 | AUV | 0.8622 |
254 | VJJ | 0.8620 |
255 | 5E5 | 0.8612 |
256 | XYP AHR | 0.8610 |
257 | GPU | 0.8609 |
258 | IAC | 0.8606 |
259 | TI7 | 0.8605 |
260 | 363 | 0.8605 |
261 | 4FF | 0.8605 |
262 | LTN | 0.8603 |
263 | DKZ | 0.8601 |
264 | B2T | 0.8600 |
265 | NEU | 0.8594 |
266 | F40 | 0.8592 |
267 | B1T | 0.8587 |
268 | 56N | 0.8579 |
269 | 88R | 0.8575 |
270 | 69K | 0.8572 |
271 | 9W5 | 0.8564 |
272 | H75 | 0.8560 |
273 | IMP | 0.8548 |
274 | 6HX | 0.8537 |
275 | 4AB | 0.8527 |
276 | IOP | 0.8520 |
277 | ZJB | 0.8517 |
278 | BIO | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 2ada.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |