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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 261 families. | |||||
1 | 5FOV | Kd = 1590 uM | ACE PHE HIS THR GLY NH2 | n/a | n/a |
2 | 4D6P | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
3 | 5J4K | - | 6FZ | C10 H10 O2 | c1ccc2c(c1.... |
4 | 5FOU | Kd = 113 uM | ACE PHE HIS PRO ALA NH2 | n/a | n/a |
5 | 4B34 | Kd = 0.73 mM | ABV | C7 H6 N2 S | c1ccc2c(c1.... |
6 | 4B32 | Kd = 0.46 mM | 03V | C10 H8 O | c1ccc2cc(c.... |
7 | 4B3C | Kd = 1.9 mM | 5H1 | C8 H7 N O | c1cc2c(cc[.... |
8 | 5FOW | Kd = 93 uM | ACE TRP HIS THR ALA NH2 NH2 | n/a | n/a |
9 | 4B33 | Kd = 0.43 mM | 1NP | C10 H8 O | c1ccc2c(c1.... |
10 | 4B2I | Kd = 1 mM | LZ1 | C7 H6 N2 | c1ccc2c(c1.... |
11 | 4B35 | Kd = 1.3 mM | 4ME | C10 H9 N O2 | COC(=O)c1c.... |
12 | 4B2L | Kd = 0.57 mM | TR7 | C12 H14 N2 O2 | COC(=O)[C@.... |
13 | 4UQO | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 5FOT | Kd = 680 uM | ACE PHE HIS THR ABA NH2 | n/a | n/a |
15 | 5FOX | Kd = 675 uM | ACE PHE HIS ALA ALA NH2 | n/a | n/a |
16 | 4B3D | Kd = 2.1 mM | 5MI | C9 H9 N | Cc1ccc2c(c.... |
17 | 5J4H | - | 1F1 | C9 H7 N O2 | c1cc(cc2c1.... |
18 | 4B3B | Kd = 250 uM | ACE PHE HIS THR ALA NH2 | n/a | n/a |
19 | 5FPK | - | ACE PHE ALA THR ALA NH2 | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 5FOV | Kd = 1590 uM | ACE PHE HIS THR GLY NH2 | n/a | n/a |
2 | 4D6P | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
3 | 5J4K | - | 6FZ | C10 H10 O2 | c1ccc2c(c1.... |
4 | 5FOU | Kd = 113 uM | ACE PHE HIS PRO ALA NH2 | n/a | n/a |
5 | 4B34 | Kd = 0.73 mM | ABV | C7 H6 N2 S | c1ccc2c(c1.... |
6 | 4B32 | Kd = 0.46 mM | 03V | C10 H8 O | c1ccc2cc(c.... |
7 | 4B3C | Kd = 1.9 mM | 5H1 | C8 H7 N O | c1cc2c(cc[.... |
8 | 5FOW | Kd = 93 uM | ACE TRP HIS THR ALA NH2 NH2 | n/a | n/a |
9 | 4B33 | Kd = 0.43 mM | 1NP | C10 H8 O | c1ccc2c(c1.... |
10 | 4B2I | Kd = 1 mM | LZ1 | C7 H6 N2 | c1ccc2c(c1.... |
11 | 4B35 | Kd = 1.3 mM | 4ME | C10 H9 N O2 | COC(=O)c1c.... |
12 | 4B2L | Kd = 0.57 mM | TR7 | C12 H14 N2 O2 | COC(=O)[C@.... |
13 | 4UQO | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 5FOT | Kd = 680 uM | ACE PHE HIS THR ABA NH2 | n/a | n/a |
15 | 5FOX | Kd = 675 uM | ACE PHE HIS ALA ALA NH2 | n/a | n/a |
16 | 4B3D | Kd = 2.1 mM | 5MI | C9 H9 N | Cc1ccc2c(c.... |
17 | 5J4H | - | 1F1 | C9 H7 N O2 | c1cc(cc2c1.... |
18 | 4B3B | Kd = 250 uM | ACE PHE HIS THR ALA NH2 | n/a | n/a |
19 | 5FPK | - | ACE PHE ALA THR ALA NH2 | n/a | n/a |
20 | 2FPK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
21 | 1T4G | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
22 | 2FPL | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
23 | 2FPM | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
24 | 2I1Q | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
25 | 3NTU | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
26 | 2F1J | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
27 | 3FYH | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
28 | 1XU4 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
29 | 3EW9 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
30 | 3EWA | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
31 | 3ETL | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
32 | 2GDJ | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TR7 | 1 | 1 |
2 | LTN | 0.705882 | 0.692308 |
3 | TRP | 0.666667 | 0.833333 |
4 | DTR | 0.666667 | 0.833333 |
5 | TRP GLY | 0.5625 | 0.638298 |
6 | 3IL | 0.534483 | 0.625 |
7 | 4Z9 | 0.534483 | 0.625 |
8 | TSR | 0.490909 | 0.684211 |
9 | LYS TRP | 0.466667 | 0.625 |
10 | IOP | 0.457627 | 0.675676 |
11 | IAC | 0.448276 | 0.694444 |
12 | R38 | 0.444444 | 0.652174 |
13 | R59 | 0.444444 | 0.652174 |
14 | TSS | 0.438596 | 0.631579 |
15 | ZIQ | 0.4375 | 0.775 |
16 | GLU ASP ASN ASP TRP ASN | 0.43038 | 0.612245 |
17 | ITW | 0.412698 | 0.615385 |
18 | 3IB | 0.412698 | 0.657895 |
19 | C2Y | 0.40678 | 0.657143 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 96Z | 0.9598 |
2 | 4OG | 0.9589 |
3 | CTE | 0.9470 |
4 | ALN | 0.9452 |
5 | 9BF | 0.9433 |
6 | EXG | 0.9421 |
7 | 78U | 0.9406 |
8 | 2UD | 0.9403 |
9 | FT6 | 0.9320 |
10 | 3SU | 0.9312 |
11 | H35 | 0.9297 |
12 | NAL | 0.9292 |
13 | SY4 | 0.9258 |
14 | MDR | 0.9250 |
15 | NIY | 0.9247 |
16 | EXL | 0.9228 |
17 | ASE | 0.9209 |
18 | I2E | 0.9208 |
19 | AZY | 0.9190 |
20 | DAH | 0.9185 |
21 | IOS | 0.9183 |
22 | 3AD | 0.9173 |
23 | ACE TRP | 0.9170 |
24 | 3D1 | 0.9156 |
25 | B41 | 0.9146 |
26 | 9UL | 0.9140 |
27 | X2M | 0.9138 |
28 | Q5M | 0.9135 |
29 | NOS | 0.9134 |
30 | ADN | 0.9128 |
31 | IYR | 0.9125 |
32 | LLG | 0.9120 |
33 | PF1 | 0.9114 |
34 | FWD | 0.9113 |
35 | EAJ | 0.9113 |
36 | 0FR | 0.9113 |
37 | TBN | 0.9111 |
38 | B86 | 0.9103 |
39 | 9F8 | 0.9099 |
40 | 5AD | 0.9088 |
41 | 4GU | 0.9088 |
42 | 8XL | 0.9086 |
43 | THM | 0.9085 |
44 | IMH | 0.9082 |
45 | DTE | 0.9078 |
46 | URI | 0.9066 |
47 | JYW | 0.9062 |
48 | YOF | 0.9061 |
49 | 5WN | 0.9059 |
50 | 0DN | 0.9056 |
51 | 6NJ | 0.9054 |
52 | 9DI | 0.9053 |
53 | RVE | 0.9048 |
54 | 5F1 | 0.9047 |
55 | ZEA | 0.9041 |
56 | CWD | 0.9040 |
57 | STV | 0.9031 |
58 | THU | 0.9025 |
59 | D1Y | 0.9025 |
60 | 6C9 | 0.9024 |
61 | L12 | 0.9014 |
62 | MTA | 0.9014 |
63 | 5ER | 0.9014 |
64 | GXG | 0.9009 |
65 | 5MD | 0.9008 |
66 | MJW | 0.9006 |
67 | 5BT | 0.9003 |
68 | BWD | 0.8999 |
69 | ZON | 0.8999 |
70 | MMS | 0.8999 |
71 | RK4 | 0.8998 |
72 | B5A | 0.8997 |
73 | 2P3 | 0.8996 |
74 | ISC | 0.8995 |
75 | R9G | 0.8994 |
76 | EYY | 0.8992 |
77 | HWD | 0.8991 |
78 | DBS | 0.8990 |
79 | KYN | 0.8990 |
80 | 0GA | 0.8988 |
81 | 3EB | 0.8988 |
82 | ZYC | 0.8985 |
83 | NWD | 0.8977 |
84 | 2KU | 0.8973 |
85 | EQA | 0.8971 |
86 | DUR | 0.8970 |
87 | 0XR | 0.8970 |
88 | M3Q | 0.8969 |
89 | 2LT | 0.8967 |
90 | 5TO | 0.8966 |
91 | UA2 | 0.8965 |
92 | GZV | 0.8962 |
93 | 0OO | 0.8960 |
94 | JYE | 0.8948 |
95 | GMP | 0.8937 |
96 | IWD | 0.8936 |
97 | FMC | 0.8934 |
98 | LL1 | 0.8933 |
99 | LDC | 0.8928 |
100 | CPW | 0.8928 |
101 | 2TU | 0.8924 |
102 | 3VW | 0.8923 |
103 | AC2 | 0.8917 |
104 | DCZ | 0.8915 |
105 | C0H | 0.8914 |
106 | CDY | 0.8914 |
107 | 5FD | 0.8909 |
108 | XYA | 0.8908 |
109 | PRH | 0.8896 |
110 | CL9 | 0.8880 |
111 | DTY | 0.8879 |
112 | PVQ | 0.8879 |
113 | RQD | 0.8875 |
114 | X6P | 0.8874 |
115 | SB7 | 0.8873 |
116 | Z70 | 0.8872 |
117 | PUR | 0.8870 |
118 | ET0 | 0.8870 |
119 | FMB | 0.8868 |
120 | 9B3 | 0.8868 |
121 | NQ7 | 0.8864 |
122 | E9S | 0.8862 |
123 | DDU | 0.8862 |
124 | PVK | 0.8861 |
125 | GNW | 0.8860 |
126 | 1VK | 0.8858 |
127 | MP5 | 0.8848 |
128 | ML1 | 0.8846 |
129 | 3DT | 0.8845 |
130 | QH3 | 0.8842 |
131 | AEY | 0.8837 |
132 | 4WF | 0.8836 |
133 | IMG | 0.8832 |
134 | LSQ | 0.8828 |
135 | ZEZ | 0.8826 |
136 | CGW | 0.8826 |
137 | TYR | 0.8824 |
138 | HPR | 0.8820 |
139 | KF5 | 0.8819 |
140 | SYE | 0.8817 |
141 | NVU | 0.8815 |
142 | MQB | 0.8813 |
143 | S3C | 0.8808 |
144 | IAG | 0.8807 |
145 | APS | 0.8807 |
146 | BZQ | 0.8804 |
147 | 0A9 | 0.8802 |
148 | 1DA | 0.8802 |
149 | 1ZC | 0.8802 |
150 | GXD | 0.8801 |
151 | MCY | 0.8800 |
152 | QMS | 0.8797 |
153 | MTM | 0.8792 |
154 | F52 | 0.8791 |
155 | LLT | 0.8789 |
156 | FM1 | 0.8785 |
157 | OUB | 0.8782 |
158 | QLI | 0.8781 |
159 | I59 | 0.8779 |
160 | A | 0.8776 |
161 | Y3J | 0.8776 |
162 | FM2 | 0.8774 |
163 | ARP | 0.8773 |
164 | TYC | 0.8771 |
165 | EVO | 0.8770 |
166 | 8OX | 0.8769 |
167 | PLR | 0.8767 |
168 | 2FA | 0.8766 |
169 | HJH | 0.8759 |
170 | RAB | 0.8758 |
171 | CMU | 0.8757 |
172 | 1YO | 0.8756 |
173 | FUZ | 0.8754 |
174 | ENG | 0.8753 |
175 | CX4 | 0.8752 |
176 | EV3 | 0.8750 |
177 | CHQ | 0.8750 |
178 | QUS | 0.8748 |
179 | BRH | 0.8748 |
180 | CCV | 0.8746 |
181 | NFK | 0.8745 |
182 | UN4 | 0.8742 |
183 | 3IP | 0.8741 |
184 | ID2 | 0.8741 |
185 | DHZ | 0.8738 |
186 | 5HG | 0.8737 |
187 | XJ2 | 0.8730 |
188 | DCF | 0.8722 |
189 | PHE | 0.8721 |
190 | 6DP | 0.8718 |
191 | BB4 | 0.8718 |
192 | YIP | 0.8716 |
193 | HMZ | 0.8712 |
194 | XQI | 0.8712 |
195 | P80 | 0.8706 |
196 | 38B | 0.8706 |
197 | RLG | 0.8690 |
198 | HPP | 0.8689 |
199 | 2DL | 0.8686 |
200 | AM1 | 0.8684 |
201 | OSB | 0.8676 |
202 | LJ1 | 0.8668 |
203 | BSA | 0.8668 |
204 | IC9 | 0.8665 |
205 | 0QW | 0.8665 |
206 | DIH | 0.8665 |
207 | 3G3 | 0.8664 |
208 | 9PL | 0.8659 |
209 | T03 | 0.8659 |
210 | HO6 | 0.8658 |
211 | 39Z | 0.8657 |
212 | HFA | 0.8656 |
213 | IQU | 0.8653 |
214 | MBP | 0.8646 |
215 | ISJ | 0.8645 |
216 | TAL | 0.8644 |
217 | BDJ | 0.8643 |
218 | BRD | 0.8641 |
219 | MTH | 0.8634 |
220 | X0T | 0.8633 |
221 | 159 | 0.8628 |
222 | AMQ | 0.8626 |
223 | CE2 | 0.8626 |
224 | Y4L | 0.8621 |
225 | ZYV | 0.8617 |
226 | V15 | 0.8615 |
227 | JYK | 0.8613 |
228 | 9W5 | 0.8612 |
229 | 3B4 | 0.8603 |
230 | IGP | 0.8598 |
231 | PFF | 0.8596 |
232 | ML2 | 0.8592 |
233 | NFA | 0.8590 |
234 | 3D3 | 0.8586 |
235 | 61M | 0.8584 |
236 | F06 | 0.8582 |
237 | HNK | 0.8579 |
238 | JZA | 0.8575 |
239 | DNB | 0.8565 |
240 | KPV | 0.8564 |
241 | NNR | 0.8560 |
242 | JY2 | 0.8550 |
243 | JYT | 0.8540 |
244 | U8K | 0.8518 |
245 | TYE | 0.8512 |