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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 181 families. | |||||
1 | 3S9K | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
2 | 3IMJ | Ka = 2100000 M^-1 | AYI | C22 H32 N5 O9 P | CC[C@H](C).... |
3 | 3IN8 | Ka = 400000 M^-1 | FYI | C22 H34 N5 O9 P | CC[C@H](C).... |
4 | 1BMB | ic50 = 0.7 uM | LYS PRO PHE PTR VAL ASN VAL GLU PHE | n/a | n/a |
5 | 3KFJ | Ka = 300000 M^-1 | YEN | C21 H30 N5 O11 P | CNC(=O)C[C.... |
6 | 6WM1 | Ka = 26000000 M^-1 | ACE PTR 02K ASN PRA | n/a | n/a |
7 | 6WO2 | Ka = 16000000 M^-1 | ACE PTR 02K ASN U67 | n/a | n/a |
8 | 1FYR | ic50 = 2.4 uM | ACE PTR VAL ASN VAL | n/a | n/a |
9 | 3S8L | Ka = 430000 M^-1 | ACE PTR 192 ASN NH2 | n/a | n/a |
10 | 3IN7 | Ka = 1200000 M^-1 | AYQ | C21 H29 N6 O10 P | CNC(=O)[C@.... |
11 | 4P9V | Kd = 0.154 uM | PHQ PTR 02K ASN NH2 | n/a | n/a |
12 | 3OVE | Ka = 3700000 M^-1 | ACT PTR 03E ASN NH2 | n/a | n/a |
13 | 1BM2 | ic50 = 0.11 uM | ACE SLZ PTR VAL ASN VAL PRO | n/a | n/a |
14 | 4P9Z | Kd = 87.7 nM | NMI PTR 02K ASN NH2 | n/a | n/a |
15 | 3OV1 | Ka = 160000 M^-1 | ACT PTR 1AC ASN NH2 | n/a | n/a |
16 | 2HUW | Ka = 1000000 M^-1 | YVN | C21 H30 N5 O9 P | CC(C)[C@@H.... |
17 | 3N8M | Ka = 6500000 M^-1 | 6NA PTR VAL ASN VAL 9PR | n/a | n/a |
18 | 3S8N | Ka = 1610000 M^-1 | ACE PTR AC5 ASN NH2 | n/a | n/a |
19 | 3IMD | Ka = 560000 M^-1 | FYQ | C21 H31 N6 O10 P | CNC(=O)C[C.... |
20 | 3N84 | - | PTR VAL ASN VAL PRO 011 | n/a | n/a |
21 | 1A1B | Kd = 0.4 uM | ACE PTR GLU DIP | n/a | n/a |
22 | 1NZV | Kd = 0.4 uM | PRO GLN PTR ILE PTR VAL PRO ALA | n/a | n/a |
23 | 1O4L | ic50 > 40 mM | CIT | C6 H8 O7 | C(C(=O)O)C.... |
24 | 1SHA | - | PTR VAL PRO MET LEU | n/a | n/a |
25 | 1F1W | - | SER PTR VAL ASN VAL GLN ASN | n/a | n/a |
26 | 1O4P | ic50 = 2.5 mM | 791 | C9 H8 O4 | c1ccc(cc1).... |
27 | 1O49 | ic50 = 437 nM | 493 | C32 H36 N3 O9 P | CC(=O)N[C@.... |
28 | 1O47 | ic50 = 4 nM | 822 | C31 H34 F2 N3 O6 P | CC(=O)N[C@.... |
29 | 1A1A | - | ACE PTH GLU DIP | n/a | n/a |
30 | 1SHB | - | PTR LEU ARG VAL ALA | n/a | n/a |
31 | 1O4B | ic50 = 2000 nM | 876 | C30 H35 N3 O9 P2 | CC(=O)N[C@.... |
32 | 1IS0 | Kd = 0.1 uM | AY0 GLU GLU ILE | n/a | n/a |
33 | 1A1E | Kd = 1 uM | ACE PTR GLU DIY | n/a | n/a |
34 | 4F5B | - | PTR | C9 H12 N O6 P | c1cc(ccc1C.... |
35 | 1O4J | ic50 = 4.4 mM | IS2 | C9 H12 N O4 P | CCc1ccc(cc.... |
36 | 1BKM | - | 1C5 | C26 H39 N4 O10 P | CC(=O)N[C@.... |
37 | 1O4Q | ic50 = 3.2 mM | 256 | C8 H8 O5 S | c1ccc(cc1).... |
38 | 1SKJ | ic50 = 7 uM | UR2 | C25 H38 N3 O10 P | CN(CCCC1CC.... |
39 | 1A1C | Kd = 0.4 uM | ACE PTR GLU DIX | n/a | n/a |
40 | 1O4H | ic50 = 3.6 mM | 772 | C10 H7 N2 O4 P | c1cc2ccc(n.... |
41 | 1P13 | - | CYS ASP PTR ALA ASN PHE LYS | n/a | n/a |
42 | 1KC2 | Kd = 0.21 uM | PRO GLN PTR GLU GLU ILE PRO ILE | n/a | n/a |
43 | 1O4R | ic50 = 3.9 mM | 787 | C7 H10 O6 P2 | c1ccc(cc1).... |
44 | 1O46 | ic50 = 10 nM | 903 | C35 H36 F N3 O9 | CC(=O)N[C@.... |
45 | 1NZL | Kd = 0.07 uM | PRO GLN PTR GLU PTR ILE PRO ALA | n/a | n/a |
46 | 1O4M | ic50 > 40 mM | MLA | C3 H4 O4 | C(C(=O)O)C.... |
47 | 1O4F | ic50 = 0.3 mM | 790 | C9 H12 N O4 P | c1cc2c(c(c.... |
48 | 1O42 | ic50 = 9 nM | 843 | C30 H34 N3 O7 P | CC(=O)N[C@.... |
49 | 3MXY | Kd = 384.8 nM | GLN ASN GLY PTR VAL ASN PRO THR TYR | n/a | n/a |
50 | 3WA4 | - | SER ASP PTR MET ASN MET THR PRO | n/a | n/a |
51 | 3MXC | Kd = 286.1 nM | GLN ASN GLY PTR GLU ASN PRO THR TYR | n/a | n/a |
52 | 3N7Y | Ka = 10000000 M^-1 | PTR VAL ASN VAL 011 | n/a | n/a |
53 | 2AOB | - | S1S | C41 H46 N4 O10 | c1ccc2c(c1.... |
54 | 1JYR | Kd = 18 nM | ALA PRO SER PTR VAL ASN VAL GLN ASN | n/a | n/a |
55 | 1ZFP | ic50 = 26 nM | BE2 GLU PTR ILE ASN GLN NH2 | n/a | n/a |
56 | 2AOA | - | S1S | C41 H46 N4 O10 | c1ccc2c(c1.... |
57 | 1TZE | ic50 = 0.148 uM | LYS PRO PHE PTR VAL ASN VAL NH2 | n/a | n/a |
58 | 1CWD | - | PRO GLU GLY ASP PM3 GLU GLU VAL LEU | n/a | n/a |
59 | 1LKL | Kd = 1540 nM | ACE PTR GLU GLU GLY | n/a | n/a |
60 | 1FBZ | - | CC1 | C30 H41 N3 O10 P2 | CC(=O)N[C@.... |
61 | 1IJR | - | CC0 | C29 H38 N3 O10 P | C[C@@H](c1.... |
62 | 1CWE | - | ACE GLN PM3 GLU GLU ILE PRO | n/a | n/a |
63 | 5GJI | - | SER ASP PTR MET ASN MET THR PRO | n/a | n/a |
64 | 5GJH | - | SER ASP PTR MET ASN MET THR PRO | n/a | n/a |
65 | 1R1S | - | ACE PRO ASP PTR GLU ASN LEU | n/a | n/a |
66 | 1R1P | - | ACE ASP ASP PTR VAL ASN VAL | n/a | n/a |
67 | 1R1Q | - | ACE ARG GLU PTR VAL ASN VAL | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LO1 | 0.9522 |
2 | NY4 | 0.9424 |
3 | ZEC | 0.9305 |
4 | TYR | 0.9291 |
5 | EZL | 0.9283 |
6 | QIV | 0.9237 |
7 | HNT | 0.9196 |
8 | 1EB | 0.9191 |
9 | LWA | 0.9190 |
10 | PTB | 0.9175 |
11 | JA5 | 0.9173 |
12 | Y3L | 0.9168 |
13 | AJG | 0.9165 |
14 | 9NB | 0.9161 |
15 | JAH | 0.9158 |
16 | ENO | 0.9140 |
17 | NDD | 0.9138 |
18 | HC4 | 0.9133 |
19 | BIH | 0.9130 |
20 | GT4 | 0.9118 |
21 | PNP | 0.9107 |
22 | G1L | 0.9100 |
23 | 5TT | 0.9100 |
24 | 2PV | 0.9100 |
25 | D9Z | 0.9096 |
26 | RYV | 0.9092 |
27 | NPS | 0.9087 |
28 | 5O6 | 0.9086 |
29 | 5H6 | 0.9085 |
30 | 4FE | 0.9082 |
31 | PLP | 0.9079 |
32 | 2PK | 0.9073 |
33 | AJ1 | 0.9072 |
34 | 0UL | 0.9070 |
35 | 7FU | 0.9052 |
36 | 6SD | 0.9050 |
37 | SWX | 0.9047 |
38 | Q04 | 0.9046 |
39 | 20N | 0.9041 |
40 | 8V8 | 0.9035 |
41 | T1N | 0.9024 |
42 | S7S | 0.9023 |
43 | 1KN | 0.9022 |
44 | Y4L | 0.9020 |
45 | STV | 0.9017 |
46 | 4NP | 0.9010 |
47 | VFJ | 0.9009 |
48 | 5RP | 0.9002 |
49 | E3X | 0.8991 |
50 | LR8 | 0.8987 |
51 | DAH | 0.8987 |
52 | B1J | 0.8980 |
53 | GB5 | 0.8979 |
54 | JBZ | 0.8978 |
55 | P81 | 0.8978 |
56 | 2QC | 0.8971 |
57 | 92G | 0.8969 |
58 | PFF | 0.8969 |
59 | VFG | 0.8968 |
60 | FZM | 0.8964 |
61 | SNV | 0.8963 |
62 | 4HB | 0.8961 |
63 | 657 | 0.8960 |
64 | 80G | 0.8956 |
65 | RES | 0.8950 |
66 | 3ZB | 0.8949 |
67 | SX2 | 0.8944 |
68 | 28A | 0.8943 |
69 | M83 | 0.8942 |
70 | RKN | 0.8938 |
71 | 72D | 0.8937 |
72 | HXY | 0.8936 |
73 | EUE | 0.8933 |
74 | TID | 0.8932 |
75 | GVY | 0.8929 |
76 | GJG | 0.8926 |
77 | J1K | 0.8923 |
78 | 8EU | 0.8922 |
79 | 5VU | 0.8918 |
80 | UNJ | 0.8909 |
81 | EQW | 0.8909 |
82 | 7N8 | 0.8905 |
83 | S0D | 0.8901 |
84 | 54E | 0.8901 |
85 | 1PS | 0.8900 |
86 | RYY | 0.8899 |
87 | 5SJ | 0.8899 |
88 | 6ZX | 0.8895 |
89 | OLU | 0.8891 |
90 | DHC | 0.8889 |
91 | R5P | 0.8887 |
92 | NPX | 0.8886 |
93 | 4I8 | 0.8885 |
94 | 4BY | 0.8881 |
95 | I3E | 0.8881 |
96 | GB4 | 0.8875 |
97 | XCG | 0.8875 |
98 | PRL | 0.8874 |
99 | K7H | 0.8873 |
100 | WV7 | 0.8872 |
101 | 4CF | 0.8870 |
102 | I2E | 0.8870 |
103 | JCZ | 0.8868 |
104 | 833 | 0.8866 |
105 | K82 | 0.8866 |
106 | NFZ | 0.8866 |
107 | 5OO | 0.8862 |
108 | R52 | 0.8861 |
109 | 3W3 | 0.8860 |
110 | DG6 | 0.8858 |
111 | S0W | 0.8856 |
112 | 3VQ | 0.8855 |
113 | 3W6 | 0.8853 |
114 | 4UM | 0.8853 |
115 | PH3 | 0.8852 |
116 | HBI | 0.8852 |
117 | N4E | 0.8850 |
118 | G14 | 0.8846 |
119 | 5LA | 0.8845 |
120 | 1FE | 0.8843 |
121 | VGS | 0.8842 |
122 | ERZ | 0.8842 |
123 | PPY | 0.8840 |
124 | FT6 | 0.8838 |
125 | RSV | 0.8838 |
126 | QME | 0.8834 |
127 | 363 | 0.8834 |
128 | 3VS | 0.8833 |
129 | OQC | 0.8833 |
130 | 2J1 | 0.8829 |
131 | 2FX | 0.8822 |
132 | 5TY | 0.8821 |
133 | SJK | 0.8821 |
134 | 0OO | 0.8819 |
135 | A7H | 0.8819 |
136 | ODK | 0.8817 |
137 | 4Z1 | 0.8817 |
138 | HPP | 0.8815 |
139 | CXH | 0.8813 |
140 | 6KT | 0.8807 |
141 | 397 | 0.8806 |
142 | KLE | 0.8806 |
143 | IPO | 0.8806 |
144 | BX4 | 0.8806 |
145 | TMG | 0.8805 |
146 | C53 | 0.8805 |
147 | 14W | 0.8804 |
148 | 0F3 | 0.8800 |
149 | L15 | 0.8799 |
150 | TRP | 0.8798 |
151 | 4CN | 0.8796 |
152 | 8NB | 0.8795 |
153 | JGB | 0.8794 |
154 | H4B | 0.8794 |
155 | P4T | 0.8794 |
156 | CPZ | 0.8792 |
157 | 36Y | 0.8792 |
158 | DTY | 0.8790 |
159 | 51Y | 0.8789 |
160 | TYC | 0.8778 |
161 | VFM | 0.8777 |
162 | S62 | 0.8776 |
163 | BVS | 0.8775 |
164 | FCW | 0.8773 |
165 | E4P | 0.8771 |
166 | 613 | 0.8771 |
167 | C4E | 0.8769 |
168 | LOT | 0.8767 |
169 | PHI | 0.8766 |
170 | JMG | 0.8761 |
171 | J6W | 0.8760 |
172 | 4BX | 0.8758 |
173 | MP5 | 0.8756 |
174 | 8CC | 0.8754 |
175 | 4LW | 0.8753 |
176 | A98 | 0.8752 |
177 | 6P3 | 0.8750 |
178 | PMP | 0.8748 |
179 | SKF | 0.8747 |
180 | AZM | 0.8746 |
181 | 0FR | 0.8745 |
182 | 7AP | 0.8744 |
183 | 88L | 0.8744 |
184 | HRM | 0.8743 |
185 | 0LA | 0.8741 |
186 | 4AF | 0.8740 |
187 | P9E | 0.8739 |
188 | RCV | 0.8735 |
189 | HHS | 0.8733 |
190 | L03 | 0.8729 |
191 | 3R4 | 0.8728 |
192 | KLV | 0.8727 |
193 | 5S9 | 0.8726 |
194 | K3D | 0.8726 |
195 | M28 | 0.8725 |
196 | SYE | 0.8721 |
197 | TG6 | 0.8717 |
198 | PUE | 0.8716 |
199 | BIO | 0.8714 |
200 | ZZA | 0.8712 |
201 | 5SP | 0.8711 |
202 | 0NX | 0.8709 |
203 | G6P | 0.8708 |
204 | Q9T | 0.8706 |
205 | DVK | 0.8702 |
206 | CK2 | 0.8701 |
207 | LZ5 | 0.8701 |
208 | BGU | 0.8700 |
209 | ZHA | 0.8697 |
210 | 5WN | 0.8696 |
211 | 6H2 | 0.8693 |
212 | WLH | 0.8692 |
213 | SOJ | 0.8692 |
214 | 9R5 | 0.8690 |
215 | L2K | 0.8690 |
216 | EE8 | 0.8686 |
217 | 2K8 | 0.8686 |
218 | 92O | 0.8684 |
219 | H2B | 0.8683 |
220 | VC3 | 0.8682 |
221 | 3W8 | 0.8679 |
222 | CX6 | 0.8675 |
223 | 8D6 | 0.8674 |
224 | 4JE | 0.8672 |
225 | 27K | 0.8671 |
226 | 5E5 | 0.8667 |
227 | ZSP | 0.8662 |
228 | 109 | 0.8660 |
229 | M78 | 0.8660 |
230 | 0DF | 0.8657 |
231 | 68A | 0.8654 |
232 | W23 | 0.8648 |
233 | 4AB | 0.8646 |
234 | A5H | 0.8646 |
235 | 7MW | 0.8645 |
236 | KLS | 0.8644 |
237 | EAE | 0.8644 |
238 | ALE | 0.8639 |
239 | 1XS | 0.8638 |
240 | 2GQ | 0.8635 |
241 | BHS | 0.8635 |
242 | 36M | 0.8634 |
243 | MPU | 0.8632 |
244 | 4ZF | 0.8632 |
245 | 6DQ | 0.8632 |
246 | MSR | 0.8632 |
247 | 3F4 | 0.8632 |
248 | 4AU | 0.8630 |
249 | S8G | 0.8627 |
250 | RA7 | 0.8627 |
251 | MKN | 0.8624 |
252 | EVF | 0.8623 |
253 | FMH | 0.8623 |
254 | 6C8 | 0.8623 |
255 | 9CE | 0.8621 |
256 | S0E | 0.8620 |
257 | 6MW | 0.8620 |
258 | FYR | 0.8616 |
259 | ZRK | 0.8614 |
260 | 2P3 | 0.8612 |
261 | K4V | 0.8611 |
262 | A6P | 0.8608 |
263 | 108 | 0.8606 |
264 | S98 | 0.8605 |
265 | F6R | 0.8602 |
266 | 7EH | 0.8602 |
267 | 20D | 0.8601 |
268 | R9J | 0.8597 |
269 | 0OK | 0.8596 |
270 | 17M | 0.8594 |
271 | AES | 0.8593 |
272 | DEZ | 0.8591 |
273 | 6FB | 0.8590 |
274 | BVA | 0.8590 |
275 | BG6 | 0.8588 |
276 | NIF | 0.8585 |
277 | 7O4 | 0.8585 |
278 | 549 | 0.8582 |
279 | 52F | 0.8581 |
280 | TYL | 0.8580 |
281 | 6J5 | 0.8578 |
282 | GLP | 0.8577 |
283 | ZTW | 0.8575 |
284 | 94X | 0.8574 |
285 | P4L | 0.8570 |
286 | YIP | 0.8567 |
287 | 6PG | 0.8566 |
288 | 801 | 0.8562 |
289 | NAG | 0.8561 |
290 | 120 | 0.8559 |
291 | 3XH | 0.8559 |
292 | NEU | 0.8557 |
293 | ZYX | 0.8556 |
294 | RVE | 0.8554 |
295 | 2D2 | 0.8552 |
296 | X48 | 0.8552 |
297 | DT7 | 0.8550 |
298 | N2M | 0.8542 |
299 | 4FC | 0.8541 |
300 | 5OR | 0.8540 |
301 | CFA | 0.8540 |
302 | 1V1 | 0.8531 |
303 | A5E | 0.8530 |
304 | CR4 | 0.8526 |
305 | PTR | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 1o44.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |