- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 6 families. | |||||
1 | 2NQ6 | ic50 = 1.5 uM | HM4 | C14 H16 N4 O3 S | CC(C)(C)OC.... |
2 | 4U69 | Ki = 54.8 uM | Q07 | C6 H16 N O3 P | CCC[C@H](C.... |
3 | 2G6P | ic50 = 0.6 uM | HM2 | C18 H17 Cl N4 | Cc1c(c(nc(.... |
4 | 4U73 | Ki = 6.6 uM | Q02 | C7 H10 N O3 P | c1ccc(cc1).... |
5 | 4IKT | ic50 = 0.67 uM | TFV | C18 H16 Cl F3 N6 | Cc1c(c(nc(.... |
6 | 4U6Z | Ki = 3.9 uM | Q07 | C6 H16 N O3 P | CCC[C@H](C.... |
7 | 4U70 | Ki = 9.5 uM | Q04 | C8 H18 N O3 P | C1CCC(CC1).... |
8 | 4FLI | ic50 = 3.59 uM | Y16 | C14 H26 N2 O6 | CC(C)(C)/C.... |
9 | 4U6C | Ki = 9.9 uM | Q06 | C8 H18 N O3 P | C1CCC(C1)C.... |
10 | 4IKR | ic50 = 0.59 uM | PVP | C16 H20 Cl N5 O | Cc1c(c(nc(.... |
11 | 4FLK | ic50 = 5.58 uM | Y10 | C21 H31 N O5 | CC(C)(C)/C.... |
12 | 4IKU | ic50 = 1.79 uM | SHX | C19 H18 Cl N5 O | Cc1c(c(nc(.... |
13 | 2NQ7 | ic50 = 2.9 uM | HM5 | C14 H16 N4 O2 S | CC(C)(C)C(.... |
14 | 4FLL | ic50 = 5.14 uM | YZ6 | C25 H35 N O6 | CC(C)(C)/C.... |
15 | 4U71 | Ki = 6 uM | Q03 | C7 H16 N O3 P | C1CCC(CC1).... |
16 | 4HXX | - | 1AY | C28 H29 Cl2 N5 | Cc1c(c(nc(.... |
17 | 4IKS | ic50 = 7.23 uM | TFD | C18 H16 Cl F3 N6 | Cc1c(c(nc(.... |
18 | 4U6E | Ki = 111.6 uM | Q02 | C7 H10 N O3 P | c1ccc(cc1).... |
19 | 4U1B | Ki = 4.9 uM | Q08 | C8 H20 N O3 P | CCCC(CCC)[.... |
20 | 4FLJ | ic50 = 7.45 uM | Y08 | C22 H38 N2 O6 | CC(C)(C)/C.... |
21 | 4IU6 | - | FZ1 | C24 H23 N5 O | COc1ccc(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2NQ6 | ic50 = 1.5 uM | HM4 | C14 H16 N4 O3 S | CC(C)(C)OC.... |
2 | 4U69 | Ki = 54.8 uM | Q07 | C6 H16 N O3 P | CCC[C@H](C.... |
3 | 2G6P | ic50 = 0.6 uM | HM2 | C18 H17 Cl N4 | Cc1c(c(nc(.... |
4 | 4U73 | Ki = 6.6 uM | Q02 | C7 H10 N O3 P | c1ccc(cc1).... |
5 | 4IKT | ic50 = 0.67 uM | TFV | C18 H16 Cl F3 N6 | Cc1c(c(nc(.... |
6 | 4U6Z | Ki = 3.9 uM | Q07 | C6 H16 N O3 P | CCC[C@H](C.... |
7 | 4U70 | Ki = 9.5 uM | Q04 | C8 H18 N O3 P | C1CCC(CC1).... |
8 | 4FLI | ic50 = 3.59 uM | Y16 | C14 H26 N2 O6 | CC(C)(C)/C.... |
9 | 4U6C | Ki = 9.9 uM | Q06 | C8 H18 N O3 P | C1CCC(C1)C.... |
10 | 4IKR | ic50 = 0.59 uM | PVP | C16 H20 Cl N5 O | Cc1c(c(nc(.... |
11 | 4FLK | ic50 = 5.58 uM | Y10 | C21 H31 N O5 | CC(C)(C)/C.... |
12 | 4IKU | ic50 = 1.79 uM | SHX | C19 H18 Cl N5 O | Cc1c(c(nc(.... |
13 | 2NQ7 | ic50 = 2.9 uM | HM5 | C14 H16 N4 O2 S | CC(C)(C)C(.... |
14 | 4FLL | ic50 = 5.14 uM | YZ6 | C25 H35 N O6 | CC(C)(C)/C.... |
15 | 4U71 | Ki = 6 uM | Q03 | C7 H16 N O3 P | C1CCC(CC1).... |
16 | 4HXX | - | 1AY | C28 H29 Cl2 N5 | Cc1c(c(nc(.... |
17 | 4IKS | ic50 = 7.23 uM | TFD | C18 H16 Cl F3 N6 | Cc1c(c(nc(.... |
18 | 4U6E | Ki = 111.6 uM | Q02 | C7 H10 N O3 P | c1ccc(cc1).... |
19 | 4U1B | Ki = 4.9 uM | Q08 | C8 H20 N O3 P | CCCC(CCC)[.... |
20 | 4FLJ | ic50 = 7.45 uM | Y08 | C22 H38 N2 O6 | CC(C)(C)/C.... |
21 | 2GG0 | ic50 = 1.7 uM | U11 | C16 H20 F3 N3 O5 | C[C@@H](C(.... |
22 | 1YVM | Ki = 0.4 uM | TMG | C10 H7 N3 S | c1ccc2c(c1.... |
23 | 2GU6 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
24 | 2Q95 | ic50 = 1.6 uM | A05 | C11 H6 Cl N O5 | c1cc(c(cc1.... |
25 | 2GG8 | ic50 = 25 uM | U15 | C20 H31 N3 O5 | Cc1ccc(cc1.... |
26 | 2GTX | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
27 | 2EVC | ic50 = 0.29 uM | FC3 | C12 H7 F3 O3 | c1ccc(c(c1.... |
28 | 4A6W | ic50 = 1.9 uM | 5C1 | C10 H7 Cl N2 O3 | c1ccc(c(c1.... |
29 | 2GG3 | ic50 = 0.58 uM | U13 | C9 H7 F N6 | [H]/N=C/1C.... |
30 | 3D27 | ic50 = 55.7 uM | W29 | C12 H12 O2 S | CCc1ccsc1c.... |
31 | 2GG7 | ic50 = 1.75 uM | U14 | C10 H8 N6 O2 | [H]/N=C1/C.... |
32 | 2GU5 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
33 | 1XNZ | ic50 = 0.24 uM | FCD | C11 H7 Cl O3 | c1ccc(c(c1.... |
34 | 4A6V | ic50 = 1.9 uM | IKY | C11 H7 F3 N2 O3 | c1ccc(c(c1.... |
35 | 1C21 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
36 | 2Q92 | ic50 = 1.1 uM | B23 | C11 H7 N O5 | c1ccc(c(c1.... |
37 | 1C27 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
38 | 1C24 | - | MPJ | C4 H12 N O2 P S | CSCC[C@H](.... |
39 | 2EVO | ic50 = 0.067 uM | CT0 | C10 H13 N3 O2 S | c1csc(n1)N.... |
40 | 2P99 | ic50 = 1.16 uM | YE6 | C11 H9 Cl N2 O2 | c1ccc(c(c1.... |
41 | 2GG9 | ic50 = 3.5 uM | U16 | C22 H35 N3 O5 | CC(C)C[C@H.... |
42 | 2Q94 | ic50 = 0.37 uM | A04 | C12 H7 F3 O4 | c1ccc(c(c1.... |
43 | 2P98 | ic50 = 0.64 uM | YE7 | C12 H10 N4 O | c1ccc2c(c1.... |
44 | 2GGB | ic50 = 12 uM | U17 | C17 H33 N3 O6 | CCCC[C@H](.... |
45 | 2EVM | ic50 = 0.693 uM | FC2 | C11 H6 Cl2 O3 | c1cc(c(cc1.... |
46 | 1C22 | - | MF3 | C5 H8 F3 N O2 S | C(CSC(F)(F.... |
47 | 1C23 | - | MPH | C4 H12 N O3 P S | CSCC[C@H](.... |
48 | 2Q96 | ic50 = 1.2 uM | A18 | C12 H9 Cl O3 | c1ccc(c(c1.... |
49 | 2BB7 | ic50 = 2.14 uM | QMS | C10 H10 N2 O2 S | CS(=O)(=O).... |
50 | 2GG2 | ic50 = 0.25 uM | U12 | C10 H7 F3 N6 | c1cc(cc(c1.... |
51 | 2GGC | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
52 | 2GU4 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
53 | 2Q93 | ic50 = 0.56 uM | B21 | C12 H10 O4 | COc1ccccc1.... |
54 | 2GG5 | ic50 = 0.25 uM | U19 | C10 H7 F3 N6 | [H]/N=C1/C.... |
55 | 3MAT | - | AHH ALA LEU VAL 0A9 | n/a | n/a |
56 | 2P9A | ic50 = 6.56 uM | YE6 | C11 H9 Cl N2 O2 | c1ccc(c(c1.... |
57 | 4IU6 | - | FZ1 | C24 H23 N5 O | COc1ccc(cc.... |
58 | 1QXZ | ic50 = 19 uM | M3C | C8 H14 N2 O2 S2 | CSCC[C@@H].... |
59 | 1QXY | ic50 = 16 uM | M2C | C10 H16 N2 O2 S | CSCC[C@@H].... |
60 | 1QXW | ic50 = 7 uM | M1C | C10 H22 N2 O2 | CCCC[C@@H].... |
61 | 3IU9 | ic50 = 0.24 uM | T07 | C9 H8 Cl2 N4 S | c1cc(c(cc1.... |
62 | 3IU7 | ic50 = 16 uM | FCD | C11 H7 Cl O3 | c1ccc(c(c1.... |
63 | 3PKE | - | Y10 | C21 H31 N O5 | CC(C)(C)/C.... |
64 | 3PKB | ic50 = 0.62 uM | Y16 | C14 H26 N2 O6 | CC(C)(C)/C.... |
65 | 3PKA | ic50 = 0.54 uM | Y02 | C23 H37 N O6 | Cc1cc(c(c(.... |
66 | 3PKC | ic50 = 0.96 uM | Y08 | C22 H38 N2 O6 | CC(C)(C)/C.... |
67 | 3IU8 | ic50 = 0.58 uM | T03 | C9 H8 F N3 S | c1cc(ccc1C.... |
68 | 3PKD | ic50 = 0.76 uM | Y10 | C21 H31 N O5 | CC(C)(C)/C.... |
69 | 1YJ3 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PPY | 0.9494 |
2 | 1PS | 0.9393 |
3 | HFA | 0.9341 |
4 | PHE | 0.9317 |
5 | F98 | 0.9273 |
6 | AOT | 0.9254 |
7 | TIH | 0.9250 |
8 | MES | 0.9250 |
9 | MF3 | 0.9232 |
10 | TYR | 0.9214 |
11 | EVF | 0.9209 |
12 | 4LW | 0.9206 |
13 | HIS | 0.9188 |
14 | 1L5 | 0.9187 |
15 | NFA | 0.9136 |
16 | DTY | 0.9129 |
17 | JZA | 0.9128 |
18 | PFF | 0.9126 |
19 | JFM | 0.9113 |
20 | TCA | 0.9107 |
21 | 4BF | 0.9094 |
22 | 4TB | 0.9091 |
23 | BNL | 0.9090 |
24 | TZP | 0.9090 |
25 | ENO | 0.9084 |
26 | 4LV | 0.9075 |
27 | LVD | 0.9074 |
28 | E4P | 0.9072 |
29 | BRH | 0.9071 |
30 | DAH | 0.9067 |
31 | PBN | 0.9048 |
32 | IS2 | 0.9046 |
33 | HC4 | 0.9043 |
34 | DPN | 0.9038 |
35 | XIZ | 0.9035 |
36 | 7UZ | 0.9034 |
37 | PBA | 0.9032 |
38 | 1X4 | 0.9030 |
39 | 5DL | 0.9027 |
40 | RP3 | 0.9026 |
41 | PHI | 0.9025 |
42 | HIC | 0.9021 |
43 | 2FX | 0.9020 |
44 | LX1 | 0.9013 |
45 | 0A9 | 0.9012 |
46 | KYN | 0.9010 |
47 | 56D | 0.9009 |
48 | FOM | 0.9009 |
49 | KPA | 0.9001 |
50 | 2UB | 0.9000 |
51 | PUE | 0.8995 |
52 | B3U | 0.8991 |
53 | CXP | 0.8988 |
54 | X48 | 0.8979 |
55 | PO6 | 0.8975 |
56 | A5E | 0.8973 |
57 | EYV | 0.8972 |
58 | HCI | 0.8967 |
59 | BPY | 0.8965 |
60 | P80 | 0.8959 |
61 | 61M | 0.8957 |
62 | HSX | 0.8949 |
63 | 5LD | 0.8941 |
64 | XCG | 0.8938 |
65 | MMS | 0.8937 |
66 | AHN | 0.8929 |
67 | RP5 | 0.8929 |
68 | DHC | 0.8929 |
69 | 3CR | 0.8928 |
70 | 4XF | 0.8928 |
71 | TYE | 0.8926 |
72 | 3QO | 0.8924 |
73 | YOF | 0.8923 |
74 | HSO | 0.8919 |
75 | S2P | 0.8918 |
76 | M6H | 0.8913 |
77 | R2P | 0.8912 |
78 | SB7 | 0.8910 |
79 | G14 | 0.8909 |
80 | P81 | 0.8905 |
81 | BVA | 0.8900 |
82 | LZ5 | 0.8899 |
83 | ATX | 0.8895 |
84 | 3PG | 0.8887 |
85 | HX4 | 0.8886 |
86 | SHI | 0.8885 |
87 | Z70 | 0.8885 |
88 | OOG | 0.8884 |
89 | DER | 0.8882 |
90 | TYC | 0.8879 |
91 | HG3 | 0.8879 |
92 | GLR | 0.8878 |
93 | S7A | 0.8873 |
94 | HHI | 0.8872 |
95 | DHI | 0.8870 |
96 | 3LR | 0.8869 |
97 | K80 | 0.8868 |
98 | DXP | 0.8866 |
99 | AKG | 0.8865 |
100 | B40 | 0.8860 |
101 | 4PN | 0.8860 |
102 | K7M | 0.8859 |
103 | DXG | 0.8857 |
104 | BSA | 0.8853 |
105 | 5RP | 0.8849 |
106 | HL4 | 0.8844 |
107 | TOH | 0.8841 |
108 | KDG | 0.8840 |
109 | M5E | 0.8830 |
110 | 6ZX | 0.8828 |
111 | 6C5 | 0.8825 |
112 | MP5 | 0.8820 |
113 | DEZ | 0.8819 |
114 | TU0 | 0.8818 |
115 | XDK | 0.8817 |
116 | API | 0.8815 |
117 | DHM | 0.8813 |
118 | Y4L | 0.8812 |
119 | OJD | 0.8808 |
120 | NCT | 0.8807 |
121 | ZZA | 0.8807 |
122 | ARG | 0.8807 |
123 | ILO | 0.8804 |
124 | HNK | 0.8798 |
125 | 3VQ | 0.8797 |
126 | 4NP | 0.8797 |
127 | GLN | 0.8795 |
128 | 0NX | 0.8795 |
129 | XRS | 0.8793 |
130 | 4TP | 0.8793 |
131 | ISA | 0.8787 |
132 | HX8 | 0.8787 |
133 | GWM | 0.8787 |
134 | BNF | 0.8784 |
135 | HNL | 0.8780 |
136 | ALE | 0.8778 |
137 | OGA | 0.8777 |
138 | O45 | 0.8775 |
139 | 92G | 0.8775 |
140 | LYS | 0.8774 |
141 | JGB | 0.8773 |
142 | N9J | 0.8770 |
143 | 36E | 0.8768 |
144 | KPV | 0.8765 |
145 | HXY | 0.8764 |
146 | HJH | 0.8761 |
147 | PQT | 0.8760 |
148 | J9N | 0.8759 |
149 | 1BN | 0.8759 |
150 | 1HS | 0.8758 |
151 | SEP | 0.8757 |
152 | R20 | 0.8757 |
153 | C53 | 0.8755 |
154 | MPV | 0.8753 |
155 | 1A7 | 0.8753 |
156 | SOJ | 0.8751 |
157 | 9W5 | 0.8750 |
158 | F4E | 0.8750 |
159 | BP7 | 0.8742 |
160 | 7VP | 0.8741 |
161 | 363 | 0.8740 |
162 | RQD | 0.8735 |
163 | 2JJ | 0.8732 |
164 | P7Y | 0.8731 |
165 | E3X | 0.8724 |
166 | R9J | 0.8724 |
167 | 5OY | 0.8724 |
168 | C0H | 0.8724 |
169 | A5P | 0.8722 |
170 | 7O4 | 0.8722 |
171 | HNH | 0.8720 |
172 | DIR | 0.8719 |
173 | PH3 | 0.8719 |
174 | EGV | 0.8717 |
175 | RES | 0.8717 |
176 | JOV | 0.8714 |
177 | 50C | 0.8714 |
178 | 6J5 | 0.8714 |
179 | 11C | 0.8713 |
180 | GT4 | 0.8713 |
181 | GVG | 0.8712 |
182 | XRX | 0.8706 |
183 | 3YP | 0.8706 |
184 | UN1 | 0.8703 |
185 | GGB | 0.8701 |
186 | FK8 | 0.8699 |
187 | DZA | 0.8699 |
188 | QMP | 0.8699 |
189 | STT | 0.8696 |
190 | SYE | 0.8694 |
191 | ODK | 0.8694 |
192 | IYR | 0.8690 |
193 | JRB | 0.8690 |
194 | 3VW | 0.8689 |
195 | CH9 | 0.8689 |
196 | 4CF | 0.8688 |
197 | 54F | 0.8688 |
198 | 2B4 | 0.8688 |
199 | YZM | 0.8684 |
200 | ZZU | 0.8683 |
201 | 492 | 0.8683 |
202 | 5PV | 0.8676 |
203 | D2G | 0.8674 |
204 | D3G | 0.8673 |
205 | SYM | 0.8672 |
206 | LFC | 0.8671 |
207 | 1Z6 | 0.8661 |
208 | CPZ | 0.8661 |
209 | IVL | 0.8660 |
210 | SV4 | 0.8659 |
211 | 9GB | 0.8659 |
212 | LNR | 0.8657 |
213 | 2LT | 0.8657 |
214 | LGT | 0.8653 |
215 | 4FP | 0.8651 |
216 | 26P | 0.8649 |
217 | EQW | 0.8648 |
218 | J0Z | 0.8645 |
219 | TB8 | 0.8641 |
220 | 2D8 | 0.8640 |
221 | S2G | 0.8639 |
222 | GNW | 0.8636 |
223 | RLG | 0.8632 |
224 | TZM | 0.8631 |
225 | RA7 | 0.8628 |
226 | HWD | 0.8623 |
227 | LL2 | 0.8622 |
228 | C82 | 0.8622 |
229 | 42R | 0.8622 |
230 | CHH | 0.8620 |
231 | D8Q | 0.8619 |
232 | MXD | 0.8618 |
233 | TT4 | 0.8618 |
234 | ABF | 0.8617 |
235 | 8U3 | 0.8614 |
236 | OTR | 0.8610 |
237 | GAE | 0.8609 |
238 | 36M | 0.8604 |
239 | CK2 | 0.8597 |
240 | AVI | 0.8595 |
241 | GZ2 | 0.8595 |
242 | KPC | 0.8594 |
243 | AMQ | 0.8591 |
244 | N2Y | 0.8590 |
245 | NLP | 0.8587 |
246 | 6L6 | 0.8587 |
247 | 6C4 | 0.8582 |
248 | LUQ | 0.8582 |
249 | 7R4 | 0.8582 |
250 | F06 | 0.8567 |
251 | T2D | 0.8540 |
252 | 2NP | 0.8534 |
253 | NNH | 0.8533 |
This union binding pocket(no: 1) in the query (biounit: 4ikr.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |