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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 22 families. | |||||
1 | 5N6T | - | 8P2 | C7 H11 N2 O4 | C([C@@H]1[.... |
2 | 2WBG | Ki = 35.2 uM | LGS | C15 H28 N2 O5 | CCCCCCCC/N.... |
3 | 2J7H | Kd = 65 nM | AZF | C5 H12 N2 O3 | C1[C@H]([C.... |
4 | 2J7D | Kd = 74 nM | GI1 | C10 H17 N2 O6 | CO[C@@H](c.... |
5 | 1W3J | Kd = 484 nM | OXZ | C5 H11 N O4 | C1[C@H]([C.... |
6 | 2J7C | Ki = 10.7 nM | IDE | C15 H19 N3 O4 | c1ccc(cc1).... |
7 | 2J79 | Kd = 1.1 uM | GTL | C6 H12 N2 O5 | C([C@@H]1[.... |
8 | 2WC3 | Ki = 0.83 uM | AM3 | C15 H28 N2 O5 | CCCCCCCC/N.... |
9 | 2J75 | - | NOY | C6 H13 N O4 | C1[C@@H]([.... |
10 | 2VRJ | Kd = 0.5 uM | NCW | C15 H28 N2 O4 S | CCCCCCCCNC.... |
11 | 2J7F | Kd = 445 nM | GI3 | C9 H13 N2 O6 | c1c([nH]c2.... |
12 | 2J77 | Kd = 12.9 uM | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
13 | 5OSS | Kd = 28.3 uM | AEZ | C8 H12 N2 O4 | c1[nH]c2c(.... |
14 | 1UZ1 | Ki = 130 nM | IFL | C6 H11 N O4 | C1[C@@H]([.... |
15 | 2CBU | Kd = 2.1 uM | CTS | C8 H15 N O4 | C1C[N@]2C[.... |
16 | 2J7G | Kd = 100 nM | GI4 | C10 H15 N2 O6 | c1c([nH]c2.... |
17 | 5N6S | - | 8P5 | C13 H23 N4 O5 | C(CCN=[N+].... |
18 | 2WC4 | Kd = 5.1 uM | AMF | C15 H28 N2 O4 S | CCCCCCCCN=.... |
19 | 2CBV | Kd = 3.3 uM | CGB | C7 H13 N O4 | C1C[C@]2([.... |
20 | 1OIF | Ka = 51450000 M^-1 | IFM | C6 H13 N O3 | C1[C@@H]([.... |
21 | 2CES | Kd = 56 nM | GIM | C8 H13 N2 O4 | c1c[n+]2c(.... |
22 | 2J7E | Kd = 48 nM | GI2 | C11 H17 N2 O6 | COC(=O)Cc1.... |
23 | 2J78 | Kd = 384 nM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
24 | 1OIM | Ka = 210000 M^-1 | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
25 | 2CET | Kd = 9.6 nM | PGI | C16 H21 N2 O4 | c1ccc(cc1).... |
26 | 2J7B | Kd = 240 nM | NTZ | C6 H10 N4 O4 | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1W9D | ic50 = 0.58 mM | SEH | C10 H13 N O4 S2 | CCS/C(=NOS.... |
2 | 1W9B | ic50 = 0.99 mM | CGT | C15 H21 N O8 S2 | c1ccc(cc1).... |
3 | 1E6Q | Ki = 0.7 mM | NTZ | C6 H10 N4 O4 | C([C@@H]1[.... |
4 | 1E70 | - | G2F | C6 H11 F O5 | C([C@@H]1[.... |
5 | 1E71 | - | ASC | C6 H8 O6 | C([C@@H]([.... |
6 | 2WXD | ic50 = 3.3 uM | E18 | C12 H18 N2 O4 S2 | CN(C)CCS/C.... |
7 | 1E72 | Ki = 0.6 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
8 | 1E6X | - | LGC | C6 H10 O6 | C([C@@H]1[.... |
9 | 1E73 | - | ASC | C6 H8 O6 | C([C@@H]([.... |
10 | 1E6S | Ki = 0.6 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
11 | 1BGG | - | GCO | C6 H12 O7 | C([C@H]([C.... |
12 | 6R4K | Ki = 51 uM | JSK | C17 H25 N7 O4 | [H]/N=N/NC.... |
13 | 1E4I | - | NFG | C12 H13 F N2 O9 | c1cc(c(cc1.... |
14 | 4EK7 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
15 | 3U57 | - | DH8 | C27 H34 N2 O8 | C/C=C/1[C@.... |
16 | 3U5Y | - | SCG | C17 H24 O10 | COC(=O)C1=.... |
17 | 5OKK | - | BGP | C6 H13 O9 P | C([C@@H]1[.... |
18 | 5OKE | - | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
19 | 5OKR | - | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
20 | 5OKG | - | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
21 | 5OKQ | - | BGP | C6 H13 O9 P | C([C@@H]1[.... |
22 | 5OKS | - | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
23 | 2ZOX | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
24 | 2E9M | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
25 | 2E9L | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
26 | 3AI0 | - | PNW | C12 H15 N O8 | c1cc(ccc1[.... |
27 | 4IPN | - | SGC RTG | n/a | n/a |
28 | 5N6T | - | 8P2 | C7 H11 N2 O4 | C([C@@H]1[.... |
29 | 2WBG | Ki = 35.2 uM | LGS | C15 H28 N2 O5 | CCCCCCCC/N.... |
30 | 2J7H | Kd = 65 nM | AZF | C5 H12 N2 O3 | C1[C@H]([C.... |
31 | 2J7D | Kd = 74 nM | GI1 | C10 H17 N2 O6 | CO[C@@H](c.... |
32 | 1W3J | Kd = 484 nM | OXZ | C5 H11 N O4 | C1[C@H]([C.... |
33 | 2J7C | Ki = 10.7 nM | IDE | C15 H19 N3 O4 | c1ccc(cc1).... |
34 | 2J79 | Kd = 1.1 uM | GTL | C6 H12 N2 O5 | C([C@@H]1[.... |
35 | 2WC3 | Ki = 0.83 uM | AM3 | C15 H28 N2 O5 | CCCCCCCC/N.... |
36 | 2J75 | - | NOY | C6 H13 N O4 | C1[C@@H]([.... |
37 | 2VRJ | Kd = 0.5 uM | NCW | C15 H28 N2 O4 S | CCCCCCCCNC.... |
38 | 2J7F | Kd = 445 nM | GI3 | C9 H13 N2 O6 | c1c([nH]c2.... |
39 | 2J77 | Kd = 12.9 uM | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
40 | 5OSS | Kd = 28.3 uM | AEZ | C8 H12 N2 O4 | c1[nH]c2c(.... |
41 | 1UZ1 | Ki = 130 nM | IFL | C6 H11 N O4 | C1[C@@H]([.... |
42 | 2CBU | Kd = 2.1 uM | CTS | C8 H15 N O4 | C1C[N@]2C[.... |
43 | 2J7G | Kd = 100 nM | GI4 | C10 H15 N2 O6 | c1c([nH]c2.... |
44 | 5N6S | - | 8P5 | C13 H23 N4 O5 | C(CCN=[N+].... |
45 | 2WC4 | Kd = 5.1 uM | AMF | C15 H28 N2 O4 S | CCCCCCCCN=.... |
46 | 2CBV | Kd = 3.3 uM | CGB | C7 H13 N O4 | C1C[C@]2([.... |
47 | 1OIF | Ka = 51450000 M^-1 | IFM | C6 H13 N O3 | C1[C@@H]([.... |
48 | 2CES | Kd = 56 nM | GIM | C8 H13 N2 O4 | c1c[n+]2c(.... |
49 | 2J7E | Kd = 48 nM | GI2 | C11 H17 N2 O6 | COC(=O)Cc1.... |
50 | 2J78 | Kd = 384 nM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
51 | 1OIM | Ka = 210000 M^-1 | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
52 | 2CET | Kd = 9.6 nM | PGI | C16 H21 N2 O4 | c1ccc(cc1).... |
53 | 2J7B | Kd = 240 nM | NTZ | C6 H10 N4 O4 | C([C@@H]1[.... |
54 | 4JIE | - | BMA | C6 H12 O6 | C([C@@H]1[.... |
55 | 3AIV | - | HBO | C9 H9 N O5 | COc1ccc2c(.... |
56 | 3AIQ | - | HBO | C9 H9 N O5 | COc1ccc2c(.... |
57 | 3AIR | - | DNF | C6 H4 N2 O5 | c1cc(c(cc1.... |
58 | 3AIS | - | HBK BGC | n/a | n/a |
59 | 3AIW | - | DNF | C6 H4 N2 O5 | c1cc(c(cc1.... |
60 | 4PTX | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
61 | 4PTV | - | SGC BGC | n/a | n/a |
62 | 3GNP | - | SOG | C14 H28 O5 S | CCCCCCCCS[.... |
63 | 6RJM | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
64 | 6RK2 | - | 6GR | C13 H16 O8 | c1ccc(c(c1.... |
65 | 6RJO | - | SA0 | C13 H18 O7 | c1ccc(c(c1.... |
66 | 5AYI | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
67 | 1E56 | - | BGC HBO | n/a | n/a |
68 | 1E55 | Ki = 76 uM | DHR | C8 H7 N O2 | c1cc(ccc1[.... |
69 | 1V08 | Ki ~ 1 uM | NTZ | C6 H10 N4 O4 | C([C@@H]1[.... |
70 | 1E4N | - | HBO | C9 H9 N O5 | COc1ccc2c(.... |
71 | 1H49 | - | HBO BGC | n/a | n/a |
72 | 5GNX | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
73 | 5GNY | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
74 | 5GNZ | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
75 | 2E40 | - | LGC | C6 H10 O6 | C([C@@H]1[.... |
76 | 3F5K | Ki = 0.024 mM | BGC BGC BGC BGC BGC | n/a | n/a |
77 | 7BZM | - | GIM | C8 H13 N2 O4 | c1c[n+]2c(.... |
78 | 4QLL | Ka = 2400 M^-1 | BGC BGC BGC BGC | n/a | n/a |
79 | 4QLJ | - | BGC BGC BGC BGC | n/a | n/a |
80 | 3F5J | Ki = 0.052 mM | BGC BGC BGC BGC | n/a | n/a |
81 | 4QLK | Ka = 1800 M^-1 | BGC BGC BGC BGC | n/a | n/a |
82 | 3F5L | Ki = 0.191 mM | BGC BGC | n/a | n/a |
83 | 3PTQ | - | NFG | C12 H13 F N2 O9 | c1cc(c(cc1.... |
84 | 4PBG | - | BGP | C6 H13 O9 P | C([C@@H]1[.... |
85 | 3CMJ | - | SRT | C4 H6 O6 | [C@H]([C@H.... |
86 | 5YIF | - | 8VR | C9 H14 O8 | C[C@]1(OC[.... |
87 | 1V03 | - | BGC CCN IPH | n/a | n/a |
88 | 2O9T | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
89 | 2O9R | Ki = 21 mM | SGC BGC | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | K25 | 0.9617 |
2 | 4KL | 0.9377 |
3 | UXH | 0.9318 |
4 | V1T | 0.9298 |
5 | 96U | 0.9227 |
6 | K37 | 0.9215 |
7 | DNA | 0.9205 |
8 | X04 | 0.9198 |
9 | 1QV | 0.9185 |
10 | 2JK | 0.9177 |
11 | G1P | 0.9165 |
12 | UFO | 0.9159 |
13 | CR1 | 0.9153 |
14 | H5B | 0.9150 |
15 | PXP | 0.9142 |
16 | HHS | 0.9142 |
17 | 96R | 0.9141 |
18 | PLP | 0.9140 |
19 | K32 | 0.9132 |
20 | PMP | 0.9127 |
21 | K44 | 0.9125 |
22 | F5C | 0.9113 |
23 | 3RI | 0.9100 |
24 | 2GQ | 0.9097 |
25 | NBV | 0.9086 |
26 | SYR | 0.9083 |
27 | NPL | 0.9077 |
28 | DNC | 0.9070 |
29 | KIF | 0.9062 |
30 | KTW | 0.9059 |
31 | 209 | 0.9058 |
32 | ESI | 0.9057 |
33 | AMR | 0.9048 |
34 | 68A | 0.9047 |
35 | E1K | 0.9044 |
36 | TQU | 0.9038 |
37 | KLK | 0.9034 |
38 | H33 | 0.9034 |
39 | 8MO | 0.9034 |
40 | S7B | 0.9022 |
41 | 8NX | 0.9022 |
42 | JR2 | 0.9018 |
43 | CKX | 0.9014 |
44 | 1X8 | 0.8998 |
45 | 3Y7 | 0.8996 |
46 | CKA | 0.8991 |
47 | G6P | 0.8984 |
48 | P0P | 0.8983 |
49 | GT1 | 0.8981 |
50 | 7I2 | 0.8964 |
51 | 4R1 | 0.8963 |
52 | HBO | 0.8961 |
53 | XFE | 0.8961 |
54 | IPT | 0.8957 |
55 | NBG | 0.8951 |
56 | KYA | 0.8943 |
57 | M6P | 0.8937 |
58 | 0FK | 0.8933 |
59 | A1Y | 0.8929 |
60 | HHR | 0.8928 |
61 | WUB | 0.8925 |
62 | BG6 | 0.8923 |
63 | GLP | 0.8919 |
64 | 2AN | 0.8919 |
65 | 5V7 | 0.8918 |
66 | 54X | 0.8915 |
67 | K3Q | 0.8910 |
68 | 4NO | 0.8903 |
69 | 2K8 | 0.8903 |
70 | BGU | 0.8903 |
71 | GHM | 0.8897 |
72 | PH2 | 0.8897 |
73 | JP2 | 0.8891 |
74 | 8G6 | 0.8889 |
75 | 9OF | 0.8878 |
76 | 344 | 0.8875 |
77 | TWO | 0.8875 |
78 | JF1 | 0.8874 |
79 | AC2 | 0.8864 |
80 | B56 | 0.8859 |
81 | SG2 | 0.8857 |
82 | ARP | 0.8855 |
83 | CHQ | 0.8854 |
84 | K22 | 0.8849 |
85 | FF2 | 0.8846 |
86 | APS | 0.8840 |
87 | DXK | 0.8837 |
88 | IDD | 0.8835 |
89 | OSB | 0.8833 |
90 | 8W9 | 0.8832 |
91 | ZYQ | 0.8820 |
92 | JTA | 0.8816 |
93 | DK1 | 0.8814 |
94 | GNV | 0.8814 |
95 | IBM | 0.8811 |
96 | QMS | 0.8811 |
97 | P4L | 0.8809 |
98 | ST1 | 0.8805 |
99 | 8XQ | 0.8802 |
100 | 4BY | 0.8801 |
101 | FLV | 0.8801 |
102 | 22L | 0.8797 |
103 | MFR | 0.8794 |
104 | UAN | 0.8793 |
105 | BA5 | 0.8792 |
106 | IL5 | 0.8791 |
107 | 3ZB | 0.8789 |
108 | 5VJ | 0.8787 |
109 | 5NN | 0.8787 |
110 | GIM | 0.8783 |
111 | D6G | 0.8783 |
112 | 2FQ | 0.8781 |
113 | 3GX | 0.8779 |
114 | LIP | 0.8779 |
115 | 4V6 | 0.8775 |
116 | FDR | 0.8775 |
117 | 9AP | 0.8772 |
118 | EMZ | 0.8772 |
119 | EXD | 0.8772 |
120 | KF5 | 0.8769 |
121 | LDR | 0.8767 |
122 | ZME | 0.8762 |
123 | KG1 | 0.8760 |
124 | X0T | 0.8759 |
125 | BGP | 0.8757 |
126 | N7I | 0.8755 |
127 | QX4 | 0.8753 |
128 | NAG | 0.8752 |
129 | 537 | 0.8749 |
130 | IPD | 0.8749 |
131 | NDG | 0.8748 |
132 | GZV | 0.8747 |
133 | 92P | 0.8746 |
134 | TNF | 0.8744 |
135 | KDN | 0.8742 |
136 | M6D | 0.8738 |
137 | 0W1 | 0.8738 |
138 | CGW | 0.8737 |
139 | RH1 | 0.8735 |
140 | P9I | 0.8730 |
141 | CKU | 0.8729 |
142 | THA | 0.8729 |
143 | F40 | 0.8726 |
144 | STT | 0.8725 |
145 | URC | 0.8723 |
146 | XM5 | 0.8723 |
147 | SQP | 0.8720 |
148 | 8HC | 0.8719 |
149 | MUR | 0.8719 |
150 | 20J | 0.8718 |
151 | 5TY | 0.8715 |
152 | AEZ | 0.8712 |
153 | LP8 | 0.8712 |
154 | DQU | 0.8711 |
155 | 9GP | 0.8711 |
156 | 2CZ | 0.8711 |
157 | BY5 | 0.8708 |
158 | PVQ | 0.8708 |
159 | 7MX | 0.8708 |
160 | N2M | 0.8707 |
161 | 582 | 0.8704 |
162 | 8TX | 0.8703 |
163 | DRG | 0.8702 |
164 | C9E | 0.8702 |
165 | 0FR | 0.8702 |
166 | S60 | 0.8698 |
167 | ZYR | 0.8696 |
168 | CPW | 0.8696 |
169 | 878 | 0.8694 |
170 | 774 | 0.8694 |
171 | NTZ | 0.8693 |
172 | K68 | 0.8693 |
173 | 8WT | 0.8691 |
174 | OUB | 0.8688 |
175 | JF2 | 0.8688 |
176 | 5WT | 0.8688 |
177 | 5OF | 0.8687 |
178 | 6VD | 0.8685 |
179 | PVK | 0.8684 |
180 | Q71 | 0.8682 |
181 | GNM | 0.8681 |
182 | 6QF | 0.8679 |
183 | HBI | 0.8677 |
184 | HTP | 0.8672 |
185 | B23 | 0.8669 |
186 | 7L4 | 0.8667 |
187 | SYA | 0.8663 |
188 | 5P3 | 0.8663 |
189 | PLR | 0.8662 |
190 | MOK | 0.8662 |
191 | 363 | 0.8658 |
192 | 56N | 0.8657 |
193 | ALR | 0.8655 |
194 | 61M | 0.8653 |
195 | 7FF | 0.8652 |
196 | O2Y | 0.8650 |
197 | ZSP | 0.8650 |
198 | 55D | 0.8648 |
199 | PTS | 0.8647 |
200 | 28N | 0.8645 |
201 | A6P | 0.8643 |
202 | E7S | 0.8636 |
203 | B61 | 0.8636 |
204 | HQD | 0.8633 |
205 | LI6 | 0.8630 |
206 | 8WZ | 0.8629 |
207 | R6T | 0.8627 |
208 | 3DT | 0.8627 |
209 | H4B | 0.8625 |
210 | 4ME | 0.8625 |
211 | KFN | 0.8625 |
212 | JVQ | 0.8625 |
213 | 3J8 | 0.8622 |
214 | BPY | 0.8619 |
215 | C8O | 0.8616 |
216 | B2E | 0.8616 |
217 | KP2 | 0.8615 |
218 | M3Q | 0.8614 |
219 | ANC | 0.8614 |
220 | 3VX | 0.8611 |
221 | GOX | 0.8611 |
222 | GF4 | 0.8610 |
223 | KW8 | 0.8603 |
224 | LZB | 0.8601 |
225 | 1A7 | 0.8598 |
226 | AA | 0.8597 |
227 | R9Y | 0.8596 |
228 | 57O | 0.8595 |
229 | ZHA | 0.8587 |
230 | N91 | 0.8586 |
231 | 57D | 0.8585 |
232 | 9ZE | 0.8584 |
233 | SNY | 0.8583 |
234 | S3C | 0.8579 |
235 | HPT | 0.8579 |
236 | AY4 | 0.8578 |
237 | NRA | 0.8571 |
238 | KWH | 0.8570 |
239 | ANF | 0.8569 |
240 | IOP | 0.8569 |
241 | 5GL | 0.8568 |
242 | GNY | 0.8566 |
243 | YE7 | 0.8566 |
244 | 49N | 0.8564 |
245 | L07 | 0.8564 |
246 | 7M6 | 0.8561 |
247 | BK9 | 0.8560 |
248 | TNL | 0.8557 |
249 | RVE | 0.8552 |
250 | GDL | 0.8551 |
251 | BIO | 0.8551 |
252 | NGO | 0.8550 |
253 | CP6 | 0.8531 |
254 | DNF | 0.8528 |
255 | L46 | 0.8528 |
256 | 7WR | 0.8527 |
257 | NLA | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 2cet.bio2) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2cet.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |