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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 6 families. | |||||
1 | 2GG0 | ic50 = 1.7 uM | U11 | C16 H20 F3 N3 O5 | C[C@@H](C(.... |
2 | 1YVM | Ki = 0.4 uM | TMG | C10 H7 N3 S | c1ccc2c(c1.... |
3 | 2GU6 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
4 | 2Q95 | ic50 = 1.6 uM | A05 | C11 H6 Cl N O5 | c1cc(c(cc1.... |
5 | 2GG8 | ic50 = 25 uM | U15 | C20 H31 N3 O5 | Cc1ccc(cc1.... |
6 | 2GTX | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
7 | 2EVC | ic50 = 0.29 uM | FC3 | C12 H7 F3 O3 | c1ccc(c(c1.... |
8 | 4A6W | ic50 = 1.9 uM | 5C1 | C10 H7 Cl N2 O3 | c1ccc(c(c1.... |
9 | 2GG3 | ic50 = 0.58 uM | U13 | C9 H7 F N6 | [H]/N=C/1C.... |
10 | 3D27 | ic50 = 55.7 uM | W29 | C12 H12 O2 S | CCc1ccsc1c.... |
11 | 2GG7 | ic50 = 1.75 uM | U14 | C10 H8 N6 O2 | [H]/N=C1/C.... |
12 | 2GU5 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
13 | 1XNZ | ic50 = 0.24 uM | FCD | C11 H7 Cl O3 | c1ccc(c(c1.... |
14 | 4A6V | ic50 = 1.9 uM | IKY | C11 H7 F3 N2 O3 | c1ccc(c(c1.... |
15 | 1C21 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
16 | 2Q92 | ic50 = 1.1 uM | B23 | C11 H7 N O5 | c1ccc(c(c1.... |
17 | 1C27 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
18 | 1C24 | - | MPJ | C4 H12 N O2 P S | CSCC[C@H](.... |
19 | 2EVO | ic50 = 0.067 uM | CT0 | C10 H13 N3 O2 S | c1csc(n1)N.... |
20 | 2P99 | ic50 = 1.16 uM | YE6 | C11 H9 Cl N2 O2 | c1ccc(c(c1.... |
21 | 2GG9 | ic50 = 3.5 uM | U16 | C22 H35 N3 O5 | CC(C)C[C@H.... |
22 | 2Q94 | ic50 = 0.37 uM | A04 | C12 H7 F3 O4 | c1ccc(c(c1.... |
23 | 2P98 | ic50 = 0.64 uM | YE7 | C12 H10 N4 O | c1ccc2c(c1.... |
24 | 2GGB | ic50 = 12 uM | U17 | C17 H33 N3 O6 | CCCC[C@H](.... |
25 | 2EVM | ic50 = 0.693 uM | FC2 | C11 H6 Cl2 O3 | c1cc(c(cc1.... |
26 | 1C22 | - | MF3 | C5 H8 F3 N O2 S | C(CSC(F)(F.... |
27 | 1C23 | - | MPH | C4 H12 N O3 P S | CSCC[C@H](.... |
28 | 2Q96 | ic50 = 1.2 uM | A18 | C12 H9 Cl O3 | c1ccc(c(c1.... |
29 | 2BB7 | ic50 = 2.14 uM | QMS | C10 H10 N2 O2 S | CS(=O)(=O).... |
30 | 2GG2 | ic50 = 0.25 uM | U12 | C10 H7 F3 N6 | c1cc(cc(c1.... |
31 | 2GGC | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
32 | 2GU4 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
33 | 2Q93 | ic50 = 0.56 uM | B21 | C12 H10 O4 | COc1ccccc1.... |
34 | 2GG5 | ic50 = 0.25 uM | U19 | C10 H7 F3 N6 | [H]/N=C1/C.... |
35 | 3MAT | - | AHH ALA LEU VAL 0A9 | n/a | n/a |
36 | 2P9A | ic50 = 6.56 uM | YE6 | C11 H9 Cl N2 O2 | c1ccc(c(c1.... |
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 | FC3 | 0.9685 |
2 | B23 | 0.9448 |
3 | A04 | 0.9353 |
4 | 5C1 | 0.9254 |
5 | RGK | 0.9239 |
6 | 1V1 | 0.9230 |
7 | A73 | 0.9208 |
8 | YE7 | 0.9207 |
9 | DFL | 0.9203 |
10 | 20D | 0.9186 |
11 | 5XL | 0.9169 |
12 | YE6 | 0.9163 |
13 | ELH | 0.9163 |
14 | F40 | 0.9156 |
15 | WLH | 0.9142 |
16 | B21 | 0.9141 |
17 | AGI | 0.9137 |
18 | 25F | 0.9093 |
19 | W8L | 0.9075 |
20 | CDJ | 0.9067 |
21 | H2W | 0.9067 |
22 | M3W | 0.9062 |
23 | SZ5 | 0.9061 |
24 | A7K | 0.9061 |
25 | 27F | 0.9060 |
26 | 8UY | 0.9043 |
27 | IDZ | 0.9038 |
28 | B2E | 0.9031 |
29 | 9CE | 0.9031 |
30 | 3F4 | 0.9027 |
31 | 1UZ | 0.9027 |
32 | H4B | 0.9024 |
33 | U19 | 0.9020 |
34 | A8Q | 0.9013 |
35 | A63 | 0.9012 |
36 | 5E1 | 0.9011 |
37 | Q2R | 0.9006 |
38 | 1BD | 0.9004 |
39 | OSB | 0.9000 |
40 | VT3 | 0.8998 |
41 | 5WM | 0.8992 |
42 | KW7 | 0.8989 |
43 | FNT | 0.8979 |
44 | 6TJ | 0.8977 |
45 | UN9 | 0.8974 |
46 | FCD | 0.8967 |
47 | 5NN | 0.8961 |
48 | DXK | 0.8960 |
49 | ONZ | 0.8956 |
50 | HA6 | 0.8955 |
51 | 91F | 0.8944 |
52 | Q5M | 0.8940 |
53 | AJD | 0.8936 |
54 | 6BK | 0.8934 |
55 | ACE TRP | 0.8931 |
56 | 3WK | 0.8928 |
57 | 1V3 | 0.8925 |
58 | MHB | 0.8914 |
59 | NAR | 0.8914 |
60 | E9L | 0.8913 |
61 | MBP | 0.8912 |
62 | 57D | 0.8911 |
63 | 1V4 | 0.8903 |
64 | CMG | 0.8892 |
65 | CHQ | 0.8892 |
66 | IMK | 0.8891 |
67 | BIE | 0.8890 |
68 | IDD | 0.8889 |
69 | NU3 | 0.8887 |
70 | FSU | 0.8886 |
71 | ZEA | 0.8884 |
72 | M01 | 0.8878 |
73 | 08C | 0.8878 |
74 | QUB | 0.8872 |
75 | P9I | 0.8871 |
76 | 6GP | 0.8868 |
77 | EAJ | 0.8864 |
78 | ZIP | 0.8863 |
79 | RUG | 0.8863 |
80 | LU2 | 0.8860 |
81 | R4E | 0.8859 |
82 | P4L | 0.8858 |
83 | AYS | 0.8852 |
84 | FNA | 0.8851 |
85 | 3D8 | 0.8849 |
86 | 0FR | 0.8844 |
87 | 5CE | 0.8842 |
88 | H35 | 0.8838 |
89 | 0KC | 0.8836 |
90 | LLG | 0.8834 |
91 | 3GX | 0.8834 |
92 | UN4 | 0.8833 |
93 | 338 | 0.8833 |
94 | WL3 | 0.8831 |
95 | 3B4 | 0.8831 |
96 | JF8 | 0.8827 |
97 | 5E2 | 0.8827 |
98 | 6PB | 0.8821 |
99 | 9JT | 0.8820 |
100 | IK1 | 0.8818 |
101 | ID8 | 0.8818 |
102 | KMP | 0.8817 |
103 | AKD | 0.8807 |
104 | 3WJ | 0.8805 |
105 | AUY | 0.8805 |
106 | QC1 | 0.8804 |
107 | U2Z | 0.8800 |
108 | TLF | 0.8798 |
109 | 6J3 | 0.8793 |
110 | 3WO | 0.8792 |
111 | 3WN | 0.8792 |
112 | FC2 | 0.8792 |
113 | GAL PHB | 0.8791 |
114 | TJM | 0.8790 |
115 | 7L4 | 0.8790 |
116 | 3N0 | 0.8782 |
117 | JNW | 0.8779 |
118 | C09 | 0.8778 |
119 | ZRL | 0.8777 |
120 | 38B | 0.8776 |
121 | C9E | 0.8776 |
122 | 78P | 0.8776 |
123 | 1UT | 0.8772 |
124 | DBQ | 0.8761 |
125 | EMU | 0.8761 |
126 | 4K2 | 0.8754 |
127 | JFS | 0.8754 |
128 | H2B | 0.8752 |
129 | BRY | 0.8747 |
130 | GAT | 0.8746 |
131 | GVI | 0.8743 |
132 | 5WW | 0.8741 |
133 | GI2 | 0.8741 |
134 | KCH | 0.8737 |
135 | 12R | 0.8736 |
136 | A4G | 0.8733 |
137 | HFT | 0.8732 |
138 | 39Z | 0.8732 |
139 | J84 | 0.8728 |
140 | 3Y7 | 0.8725 |
141 | CBE | 0.8724 |
142 | CJZ | 0.8720 |
143 | CWE | 0.8718 |
144 | 1SF | 0.8716 |
145 | WA2 | 0.8715 |
146 | GZV | 0.8713 |
147 | BHS | 0.8712 |
148 | NW1 | 0.8711 |
149 | 4A1 | 0.8711 |
150 | K65 | 0.8709 |
151 | 4F8 | 0.8707 |
152 | M77 | 0.8707 |
153 | P83 | 0.8706 |
154 | 26C | 0.8702 |
155 | A4V | 0.8702 |
156 | Q11 | 0.8700 |
157 | O82 | 0.8700 |
158 | BDI | 0.8698 |
159 | 49N | 0.8697 |
160 | 8HH | 0.8696 |
161 | D9Z | 0.8694 |
162 | L3L | 0.8690 |
163 | LI7 | 0.8689 |
164 | 5DN | 0.8686 |
165 | BBY | 0.8686 |
166 | W29 | 0.8681 |
167 | LI4 | 0.8678 |
168 | 3G1 | 0.8672 |
169 | ZEZ | 0.8665 |
170 | TCW | 0.8661 |
171 | AZC | 0.8652 |
172 | 4GU | 0.8651 |
173 | 6QT | 0.8650 |
174 | ALH | 0.8640 |
175 | FHI | 0.8640 |
176 | 5P3 | 0.8640 |
177 | 5ER | 0.8633 |
178 | 7VF | 0.8626 |
179 | 43U | 0.8624 |
180 | 1V8 | 0.8622 |
181 | HMD | 0.8622 |
182 | HH6 | 0.8620 |
183 | EDZ | 0.8609 |
184 | 56N | 0.8606 |
185 | URI | 0.8604 |
186 | 6DE | 0.8600 |
187 | AVX | 0.8599 |
188 | 5WS | 0.8593 |
189 | H32 | 0.8592 |
190 | G30 | 0.8592 |
191 | 1Q4 | 0.8588 |
192 | QNM | 0.8588 |
193 | 21E | 0.8587 |
194 | EAT | 0.8587 |
195 | CX4 | 0.8585 |
196 | OJ7 | 0.8581 |
197 | QQX | 0.8580 |
198 | 7PS | 0.8578 |
199 | D80 | 0.8574 |
200 | 53X | 0.8567 |
201 | MUX | 0.8565 |
202 | Q9T | 0.8563 |
203 | XG1 | 0.8560 |
204 | FSE | 0.8559 |
205 | DDC | 0.8551 |
206 | 5AV | 0.8551 |
207 | C4E | 0.8547 |
208 | MEX | 0.8542 |
209 | WST | 0.8530 |
210 | TOP | 0.8529 |
211 | JO8 | 0.8520 |
212 | AUV | 0.8517 |
213 | E44 | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 1yvm.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |