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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 13 families. | |||||
1 | 1O48 | ic50 = 450 nM | 853 | C33 H35 N3 O7 | CC(=O)N[C@.... |
2 | 1O4N | ic50 > 40 mM | OXD | C2 H2 O4 | C(=O)(C(=O.... |
3 | 1O44 | ic50 = 3 nM | 852 | C34 H35 N3 O9 | CC(=O)N[C@.... |
4 | 1O4G | ic50 > 5 mM | I59 | C11 H11 O4 P | c1ccc2c(c1.... |
5 | 1SHD | ic50 = 0.67 uM | ACE PTR GLU GLU ILE GLU | n/a | n/a |
6 | 1O4O | ic50 = 3.5 mM | HPS | C6 H7 O4 P | c1ccc(cc1).... |
7 | 1A08 | Kd = 2.4 uM | ACE FTY GLU DIP | n/a | n/a |
8 | 1A07 | Kd = 0.4 uM | ACE PTR GLU DIP | n/a | n/a |
9 | 1A1B | Kd = 0.4 uM | ACE PTR GLU DIP | n/a | n/a |
10 | 1NZV | Kd = 0.4 uM | PRO GLN PTR ILE PTR VAL PRO ALA | n/a | n/a |
11 | 1O4L | ic50 > 40 mM | CIT | C6 H8 O7 | C(C(=O)O)C.... |
12 | 1SHA | - | PTR VAL PRO MET LEU | n/a | n/a |
13 | 1F1W | - | SER PTR VAL ASN VAL GLN ASN | n/a | n/a |
14 | 1O4P | ic50 = 2.5 mM | 791 | C9 H8 O4 | c1ccc(cc1).... |
15 | 1O49 | ic50 = 437 nM | 493 | C32 H36 N3 O9 P | CC(=O)N[C@.... |
16 | 1O47 | ic50 = 4 nM | 822 | C31 H34 F2 N3 O6 P | CC(=O)N[C@.... |
17 | 1A1A | - | ACE PTH GLU DIP | n/a | n/a |
18 | 1SHB | - | PTR LEU ARG VAL ALA | n/a | n/a |
19 | 1O4B | ic50 = 2000 nM | 876 | C30 H35 N3 O9 P2 | CC(=O)N[C@.... |
20 | 1IS0 | Kd = 0.1 uM | AY0 GLU GLU ILE | n/a | n/a |
21 | 1A1E | Kd = 1 uM | ACE PTR GLU DIY | n/a | n/a |
22 | 4F5B | - | PTR | C9 H12 N O6 P | c1cc(ccc1C.... |
23 | 1O4J | ic50 = 4.4 mM | IS2 | C9 H12 N O4 P | CCc1ccc(cc.... |
24 | 1BKM | - | 1C5 | C26 H39 N4 O10 P | CC(=O)N[C@.... |
25 | 1O4Q | ic50 = 3.2 mM | 256 | C8 H8 O5 S | c1ccc(cc1).... |
26 | 1SKJ | ic50 = 7 uM | UR2 | C25 H38 N3 O10 P | CN(CCCC1CC.... |
27 | 1A1C | Kd = 0.4 uM | ACE PTR GLU DIX | n/a | n/a |
28 | 1O4H | ic50 = 3.6 mM | 772 | C10 H7 N2 O4 P | c1cc2ccc(n.... |
29 | 1P13 | - | CYS ASP PTR ALA ASN PHE LYS | n/a | n/a |
30 | 1KC2 | Kd = 0.21 uM | PRO GLN PTR GLU GLU ILE PRO ILE | n/a | n/a |
31 | 1O4R | ic50 = 3.9 mM | 787 | C7 H10 O6 P2 | c1ccc(cc1).... |
32 | 1O46 | ic50 = 10 nM | 903 | C35 H36 F N3 O9 | CC(=O)N[C@.... |
33 | 1NZL | Kd = 0.07 uM | PRO GLN PTR GLU PTR ILE PRO ALA | n/a | n/a |
34 | 1O4M | ic50 > 40 mM | MLA | C3 H4 O4 | C(C(=O)O)C.... |
35 | 1O4F | ic50 = 0.3 mM | 790 | C9 H12 N O4 P | c1cc2c(c(c.... |
36 | 1O42 | ic50 = 9 nM | 843 | C30 H34 N3 O7 P | CC(=O)N[C@.... |
37 | 1LKL | Kd = 1540 nM | ACE PTR GLU GLU GLY | n/a | n/a |
38 | 1FBZ | - | CC1 | C30 H41 N3 O10 P2 | CC(=O)N[C@.... |
39 | 1IJR | - | CC0 | C29 H38 N3 O10 P | C[C@@H](c1.... |
40 | 1CWE | - | ACE GLN PM3 GLU GLU ILE PRO | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3C7I | Ka = 440000 M^-1 | TVN | C21 H32 N5 O9 P | CC(C)[C@@H.... |
2 | 3S8O | Ka = 6960000 M^-1 | ACE PTR 02K ASN NH2 | n/a | n/a |
3 | 1O48 | ic50 = 450 nM | 853 | C33 H35 N3 O7 | CC(=O)N[C@.... |
4 | 1O4N | ic50 > 40 mM | OXD | C2 H2 O4 | C(=O)(C(=O.... |
5 | 1O44 | ic50 = 3 nM | 852 | C34 H35 N3 O9 | CC(=O)N[C@.... |
6 | 1O4G | ic50 > 5 mM | I59 | C11 H11 O4 P | c1ccc2c(c1.... |
7 | 1SHD | ic50 = 0.67 uM | ACE PTR GLU GLU ILE GLU | n/a | n/a |
8 | 1O4O | ic50 = 3.5 mM | HPS | C6 H7 O4 P | c1ccc(cc1).... |
9 | 1A08 | Kd = 2.4 uM | ACE FTY GLU DIP | n/a | n/a |
10 | 1A07 | Kd = 0.4 uM | ACE PTR GLU DIP | n/a | n/a |
11 | 1JYQ | Kd = 2 nM | MAZ PTR PTM ASN | n/a | n/a |
12 | 1LKK | Kd = 140 nM | ACE PTR GLU GLU ILE ACE | n/a | n/a |
13 | 1BHF | Kd = 42 uM | ACE 1PA GLU GLU ILE | n/a | n/a |
14 | 1LCK | - | GLU GLY GLN PTR GLN PRO GLN PRO ALA | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | M3Q | 0.9674 |
2 | QMS | 0.9598 |
3 | 790 | 0.9474 |
4 | IOS | 0.9439 |
5 | ZON | 0.9352 |
6 | KED | 0.9325 |
7 | VYM | 0.9315 |
8 | 9UL | 0.9301 |
9 | 9F8 | 0.9296 |
10 | ALN | 0.9277 |
11 | NLA | 0.9266 |
12 | 6DP | 0.9243 |
13 | T6Z | 0.9232 |
14 | GRX | 0.9231 |
15 | CSN | 0.9230 |
16 | 8GK | 0.9226 |
17 | IOP | 0.9220 |
18 | IAC | 0.9218 |
19 | 2GQ | 0.9215 |
20 | TRP | 0.9214 |
21 | PLP | 0.9213 |
22 | 5JT | 0.9197 |
23 | EXL | 0.9171 |
24 | 92P | 0.9165 |
25 | TSR | 0.9161 |
26 | 6J9 | 0.9157 |
27 | 9BF | 0.9151 |
28 | 4ME | 0.9150 |
29 | MAJ | 0.9136 |
30 | 30G | 0.9135 |
31 | NVU | 0.9134 |
32 | CX4 | 0.9130 |
33 | M5H | 0.9130 |
34 | C9E | 0.9129 |
35 | 4OG | 0.9119 |
36 | DTR | 0.9113 |
37 | TWB | 0.9112 |
38 | MQB | 0.9111 |
39 | LP8 | 0.9109 |
40 | KYA | 0.9108 |
41 | C2Y | 0.9106 |
42 | GTV | 0.9105 |
43 | NPA | 0.9105 |
44 | YO5 | 0.9105 |
45 | 2LY | 0.9103 |
46 | 78U | 0.9092 |
47 | BG6 | 0.9078 |
48 | YKG | 0.9078 |
49 | 5WN | 0.9070 |
50 | FXH | 0.9068 |
51 | G6P | 0.9065 |
52 | XFE | 0.9054 |
53 | IBM | 0.9048 |
54 | Q5M | 0.9047 |
55 | NIY | 0.9046 |
56 | NAG | 0.9045 |
57 | 1QP | 0.9040 |
58 | 2O6 | 0.9040 |
59 | 7SX | 0.9037 |
60 | 2KU | 0.9031 |
61 | M02 | 0.9024 |
62 | SRO | 0.9022 |
63 | 54X | 0.9019 |
64 | 67Y | 0.9018 |
65 | XEN | 0.9017 |
66 | ZIQ | 0.9016 |
67 | 2LB | 0.9015 |
68 | 4Z9 | 0.9004 |
69 | KF5 | 0.9004 |
70 | CC5 | 0.9003 |
71 | 61M | 0.9003 |
72 | TQU | 0.8994 |
73 | L8J | 0.8991 |
74 | BK9 | 0.8987 |
75 | TSS | 0.8983 |
76 | 49O | 0.8983 |
77 | SKF | 0.8982 |
78 | 5OF | 0.8980 |
79 | 092 | 0.8978 |
80 | PMP | 0.8978 |
81 | 3IL | 0.8977 |
82 | 5NS | 0.8976 |
83 | 22L | 0.8975 |
84 | 57O | 0.8974 |
85 | EXR | 0.8972 |
86 | 7MX | 0.8972 |
87 | TXW | 0.8971 |
88 | P9T | 0.8970 |
89 | JR2 | 0.8961 |
90 | LL1 | 0.8959 |
91 | ITW | 0.8958 |
92 | GC2 | 0.8955 |
93 | 28S | 0.8951 |
94 | 5V7 | 0.8949 |
95 | B4O | 0.8948 |
96 | MP5 | 0.8941 |
97 | 61O | 0.8933 |
98 | L21 | 0.8932 |
99 | ARP | 0.8924 |
100 | BZM | 0.8923 |
101 | NPL | 0.8918 |
102 | 5WU | 0.8917 |
103 | F95 | 0.8915 |
104 | M6Z | 0.8914 |
105 | 7ZC | 0.8909 |
106 | G1P | 0.8904 |
107 | 9KH | 0.8895 |
108 | 8XL | 0.8894 |
109 | 0LH | 0.8891 |
110 | EXD | 0.8889 |
111 | CTE | 0.8889 |
112 | W8G | 0.8889 |
113 | IPD | 0.8888 |
114 | MHK | 0.8886 |
115 | 3EB | 0.8885 |
116 | 0FR | 0.8884 |
117 | 2UD | 0.8881 |
118 | APS | 0.8881 |
119 | MEX | 0.8880 |
120 | LIP | 0.8876 |
121 | MNP | 0.8875 |
122 | 091 | 0.8875 |
123 | 0F9 | 0.8875 |
124 | LTN | 0.8866 |
125 | FUJ | 0.8865 |
126 | 3Y7 | 0.8865 |
127 | 4KL | 0.8865 |
128 | B23 | 0.8859 |
129 | 2SX | 0.8856 |
130 | 67X | 0.8853 |
131 | RVE | 0.8851 |
132 | BB4 | 0.8850 |
133 | AOJ | 0.8849 |
134 | ZYW | 0.8848 |
135 | SBK | 0.8846 |
136 | AKD | 0.8845 |
137 | DTE | 0.8844 |
138 | FWD | 0.8840 |
139 | JP2 | 0.8835 |
140 | 2C2 | 0.8834 |
141 | EV2 | 0.8827 |
142 | 49N | 0.8812 |
143 | DXK | 0.8810 |
144 | M5N | 0.8810 |
145 | ZYV | 0.8808 |
146 | R8Y | 0.8805 |
147 | 3SU | 0.8802 |
148 | ET0 | 0.8801 |
149 | H7S | 0.8797 |
150 | OSB | 0.8796 |
151 | LZ2 | 0.8795 |
152 | AC2 | 0.8794 |
153 | 96Z | 0.8794 |
154 | NBG | 0.8794 |
155 | F5C | 0.8792 |
156 | JV4 | 0.8791 |
157 | P0P | 0.8790 |
158 | A29 | 0.8789 |
159 | B2Y | 0.8788 |
160 | I4D | 0.8786 |
161 | 5WY | 0.8786 |
162 | 7CT | 0.8784 |
163 | 3LJ | 0.8780 |
164 | PXP | 0.8779 |
165 | TR7 | 0.8779 |
166 | DDU | 0.8778 |
167 | AMR | 0.8777 |
168 | SLY | 0.8777 |
169 | 5AD | 0.8776 |
170 | CWD | 0.8770 |
171 | BPY | 0.8769 |
172 | DHY | 0.8766 |
173 | BIO | 0.8761 |
174 | NQH | 0.8758 |
175 | 39Z | 0.8755 |
176 | MUR | 0.8749 |
177 | 6VD | 0.8748 |
178 | B41 | 0.8744 |
179 | KFN | 0.8743 |
180 | AVR | 0.8740 |
181 | BPS | 0.8738 |
182 | F52 | 0.8737 |
183 | BGP | 0.8734 |
184 | I2E | 0.8733 |
185 | HBI | 0.8730 |
186 | PLR | 0.8728 |
187 | L07 | 0.8727 |
188 | FNA | 0.8721 |
189 | SAF | 0.8716 |
190 | 8DA | 0.8713 |
191 | EV3 | 0.8711 |
192 | MIL | 0.8706 |
193 | 2K8 | 0.8702 |
194 | TOM | 0.8699 |
195 | 657 | 0.8696 |
196 | STT | 0.8694 |
197 | A1Y | 0.8694 |
198 | MYI | 0.8693 |
199 | 4R1 | 0.8690 |
200 | BWD | 0.8687 |
201 | THM | 0.8687 |
202 | JYT | 0.8685 |
203 | 8XQ | 0.8685 |
204 | 2DL | 0.8684 |
205 | II4 | 0.8683 |
206 | QPR | 0.8682 |
207 | YTX | 0.8682 |
208 | C0W | 0.8676 |
209 | 2ZQ | 0.8676 |
210 | TRF | 0.8675 |
211 | ALE | 0.8674 |
212 | ZZZ | 0.8669 |
213 | ZSP | 0.8668 |
214 | 5RN | 0.8667 |
215 | NCV | 0.8667 |
216 | 8U3 | 0.8662 |
217 | AM1 | 0.8657 |
218 | 3IB | 0.8655 |
219 | CUT | 0.8655 |
220 | H4B | 0.8654 |
221 | EY7 | 0.8649 |
222 | 6HX | 0.8649 |
223 | 7AP | 0.8648 |
224 | 0OL | 0.8647 |
225 | 3C4 | 0.8646 |
226 | 5NE | 0.8641 |
227 | IWD | 0.8641 |
228 | 3D8 | 0.8640 |
229 | GN6 | 0.8640 |
230 | 3L1 | 0.8635 |
231 | GP1 | 0.8635 |
232 | 60Q | 0.8634 |
233 | OBP | 0.8632 |
234 | S0G | 0.8630 |
235 | GL1 | 0.8630 |
236 | H2B | 0.8628 |
237 | PW1 | 0.8627 |
238 | QZ8 | 0.8627 |
239 | 5FL | 0.8615 |
240 | XG1 | 0.8609 |
241 | EYA | 0.8609 |
242 | JY2 | 0.8609 |
243 | 2FY | 0.8607 |
244 | 977 | 0.8603 |
245 | 3RI | 0.8603 |
246 | 25O | 0.8602 |
247 | 2D3 | 0.8602 |
248 | N3W | 0.8602 |
249 | QUB | 0.8598 |
250 | HA6 | 0.8597 |
251 | 3AK | 0.8593 |
252 | JXZ | 0.8592 |
253 | VKE | 0.8589 |
254 | HSX | 0.8588 |
255 | EYM | 0.8585 |
256 | MUX | 0.8584 |
257 | BY5 | 0.8581 |
258 | ZEA | 0.8580 |
259 | S0I | 0.8574 |
260 | GLP | 0.8568 |
261 | 4A1 | 0.8568 |
262 | JYW | 0.8567 |
263 | S8D | 0.8567 |
264 | 5WS | 0.8567 |
265 | SYR | 0.8561 |
266 | HPT | 0.8558 |
267 | 9E3 | 0.8546 |
268 | B86 | 0.8542 |
269 | B21 | 0.8538 |
270 | KDM | 0.8531 |
271 | D87 | 0.8526 |
272 | MD6 | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 1o44.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |