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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 | T21 | 0.9625 |
2 | Q2S | 0.9406 |
3 | 801 | 0.9294 |
4 | 6FX | 0.9277 |
5 | 6F3 | 0.9265 |
6 | 4RG | 0.9245 |
7 | NFL | 0.9224 |
8 | 9RM | 0.9215 |
9 | MT6 | 0.9209 |
10 | PJK | 0.9193 |
11 | 7G2 | 0.9172 |
12 | 1V8 | 0.9159 |
13 | IDZ | 0.9147 |
14 | JSX | 0.9137 |
15 | S1D | 0.9125 |
16 | BBP | 0.9125 |
17 | Q4G | 0.9123 |
18 | 122 | 0.9123 |
19 | E2N | 0.9110 |
20 | Z3R | 0.9098 |
21 | BMC | 0.9073 |
22 | MTB | 0.9067 |
23 | TVC | 0.9067 |
24 | WG8 | 0.9064 |
25 | VBC | 0.9061 |
26 | Q92 | 0.9053 |
27 | 97K | 0.9044 |
28 | FLF | 0.9029 |
29 | 6BK | 0.9020 |
30 | 0DJ | 0.9015 |
31 | 47V | 0.9010 |
32 | RGK | 0.9005 |
33 | B4L | 0.9001 |
34 | BMZ | 0.8998 |
35 | CR4 | 0.8995 |
36 | 108 | 0.8992 |
37 | DFL | 0.8980 |
38 | L5D | 0.8973 |
39 | ESJ | 0.8970 |
40 | A45 | 0.8970 |
41 | LU2 | 0.8969 |
42 | B06 | 0.8969 |
43 | 20D | 0.8969 |
44 | 1XS | 0.8961 |
45 | 6TJ | 0.8961 |
46 | 205 | 0.8954 |
47 | 120 | 0.8953 |
48 | 28A | 0.8943 |
49 | NZ4 | 0.8940 |
50 | M83 | 0.8939 |
51 | NKI | 0.8935 |
52 | GW9 | 0.8923 |
53 | EEY | 0.8919 |
54 | IQQ | 0.8919 |
55 | LC1 | 0.8917 |
56 | WLH | 0.8914 |
57 | FX5 | 0.8908 |
58 | XEV | 0.8908 |
59 | 08C | 0.8908 |
60 | 2PW | 0.8908 |
61 | BXS | 0.8907 |
62 | AV7 | 0.8906 |
63 | HHB | 0.8902 |
64 | VM7 | 0.8895 |
65 | 39R | 0.8893 |
66 | NU3 | 0.8873 |
67 | C4E | 0.8870 |
68 | 2QU | 0.8869 |
69 | 0FS | 0.8869 |
70 | 7FZ | 0.8868 |
71 | LZ7 | 0.8866 |
72 | JCQ | 0.8865 |
73 | QR2 | 0.8864 |
74 | 9JT | 0.8864 |
75 | GAA | 0.8863 |
76 | 121 | 0.8862 |
77 | GLA BEZ | 0.8861 |
78 | TVZ | 0.8861 |
79 | D25 | 0.8860 |
80 | H32 | 0.8857 |
81 | 1V1 | 0.8857 |
82 | UV4 | 0.8857 |
83 | A73 | 0.8856 |
84 | 3D8 | 0.8853 |
85 | 38E | 0.8853 |
86 | C0V | 0.8852 |
87 | 0NJ | 0.8851 |
88 | 5F8 | 0.8851 |
89 | RF2 | 0.8850 |
90 | JF5 | 0.8850 |
91 | U4J | 0.8849 |
92 | X2M | 0.8848 |
93 | 338 | 0.8846 |
94 | AV4 | 0.8846 |
95 | 0UL | 0.8842 |
96 | 124 | 0.8840 |
97 | 9CE | 0.8839 |
98 | F40 | 0.8838 |
99 | LR2 | 0.8837 |
100 | 6JM | 0.8837 |
101 | AGI | 0.8837 |
102 | A63 | 0.8831 |
103 | FSE | 0.8829 |
104 | IPJ | 0.8828 |
105 | 5WK | 0.8827 |
106 | 8M5 | 0.8825 |
107 | EMU | 0.8816 |
108 | 4AU | 0.8816 |
109 | SNJ | 0.8816 |
110 | 4YE | 0.8814 |
111 | 0LO | 0.8812 |
112 | OUA | 0.8810 |
113 | 245 | 0.8809 |
114 | 28B | 0.8806 |
115 | 6C8 | 0.8805 |
116 | 3Q0 | 0.8801 |
117 | 272 | 0.8797 |
118 | V2Z | 0.8797 |
119 | 27F | 0.8795 |
120 | IK1 | 0.8788 |
121 | 6DQ | 0.8787 |
122 | BZC | 0.8782 |
123 | SZ5 | 0.8782 |
124 | 3F4 | 0.8781 |
125 | LI7 | 0.8780 |
126 | QS4 | 0.8775 |
127 | E9L | 0.8774 |
128 | G2V | 0.8772 |
129 | NFZ | 0.8768 |
130 | QUE | 0.8765 |
131 | RK4 | 0.8765 |
132 | 57D | 0.8762 |
133 | 25F | 0.8762 |
134 | 5KN | 0.8759 |
135 | CMG | 0.8758 |
136 | U98 | 0.8754 |
137 | T34 | 0.8753 |
138 | 1V3 | 0.8752 |
139 | 581 | 0.8751 |
140 | 8KW | 0.8751 |
141 | NAR | 0.8750 |
142 | 4ZF | 0.8745 |
143 | EFX | 0.8745 |
144 | M3W | 0.8741 |
145 | 7L4 | 0.8740 |
146 | ZEA | 0.8740 |
147 | W8L | 0.8738 |
148 | 5TO | 0.8738 |
149 | L3L | 0.8738 |
150 | UN3 | 0.8735 |
151 | CDJ | 0.8734 |
152 | 5NN | 0.8733 |
153 | DFV | 0.8733 |
154 | 4FF | 0.8732 |
155 | 1UZ | 0.8731 |
156 | KWB | 0.8731 |
157 | H2W | 0.8728 |
158 | GQZ | 0.8728 |
159 | NIF | 0.8727 |
160 | 1V4 | 0.8724 |
161 | 4GU | 0.8722 |
162 | PIQ | 0.8720 |
163 | QKU | 0.8719 |
164 | AVA | 0.8717 |
165 | 1V0 | 0.8716 |
166 | 4YF | 0.8716 |
167 | 2QV | 0.8715 |
168 | MR4 | 0.8712 |
169 | 88X | 0.8710 |
170 | 1HP | 0.8709 |
171 | H6D | 0.8705 |
172 | 3JC | 0.8702 |
173 | HKK | 0.8701 |
174 | 4K2 | 0.8701 |
175 | SSY | 0.8700 |
176 | II4 | 0.8698 |
177 | DXK | 0.8697 |
178 | 5E5 | 0.8695 |
179 | 5WW | 0.8693 |
180 | ZRK | 0.8692 |
181 | 0MB | 0.8686 |
182 | HH6 | 0.8684 |
183 | 6QT | 0.8683 |
184 | 4G2 | 0.8680 |
185 | T61 | 0.8678 |
186 | 4L2 | 0.8676 |
187 | JVB | 0.8671 |
188 | 34L | 0.8667 |
189 | TH1 | 0.8667 |
190 | OUG | 0.8666 |
191 | ZRL | 0.8666 |
192 | XYP XDN | 0.8663 |
193 | Q7U | 0.8663 |
194 | AQ1 | 0.8659 |
195 | 5B2 | 0.8659 |
196 | 1UT | 0.8657 |
197 | 5R9 | 0.8656 |
198 | 0X2 | 0.8655 |
199 | MYC | 0.8655 |
200 | P4L | 0.8655 |
201 | KWV | 0.8655 |
202 | DDC | 0.8652 |
203 | 6JO | 0.8649 |
204 | VT3 | 0.8649 |
205 | 0SY | 0.8649 |
206 | SDT | 0.8647 |
207 | ISX | 0.8646 |
208 | 1UR | 0.8645 |
209 | 3WL | 0.8642 |
210 | NAB | 0.8640 |
211 | JBB | 0.8638 |
212 | 6JP | 0.8636 |
213 | F18 | 0.8634 |
214 | BRY | 0.8634 |
215 | 1ER | 0.8631 |
216 | A0R | 0.8630 |
217 | FHV | 0.8629 |
218 | MR6 | 0.8628 |
219 | WDW | 0.8627 |
220 | YIP | 0.8626 |
221 | IMK | 0.8623 |
222 | 40N | 0.8622 |
223 | 3Q1 | 0.8621 |
224 | MHB | 0.8620 |
225 | X2L | 0.8620 |
226 | 0K7 | 0.8619 |
227 | 69W | 0.8617 |
228 | 5P3 | 0.8615 |
229 | G30 | 0.8614 |
230 | 5P7 | 0.8610 |
231 | H35 | 0.8607 |
232 | SU9 | 0.8605 |
233 | A05 | 0.8600 |
234 | 2D2 | 0.8594 |
235 | 8CC | 0.8594 |
236 | 103 | 0.8592 |
237 | T5J | 0.8587 |
238 | YE7 | 0.8584 |
239 | 0DF | 0.8581 |
240 | LIG | 0.8577 |
241 | XDN XYP | 0.8576 |
242 | E42 | 0.8575 |
243 | QUG | 0.8574 |
244 | 802 | 0.8573 |
245 | T7O | 0.8567 |
246 | A64 | 0.8563 |
247 | A6W | 0.8559 |
248 | BGC BGC | 0.8557 |
249 | IIH | 0.8549 |
250 | LJ5 | 0.8549 |
251 | DN8 | 0.8548 |
252 | 5DE | 0.8545 |
253 | AVX | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 1yvm.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |