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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 1 families. | |||||
1 | 6TR7 | ic50 = 37 uM | HWH | C12 H13 F N2 O | CC(=O)NCCc.... |
2 | 6YUY | ic50 = 6.7 uM | PQH | C7 H6 F3 N O2 | Cc1c(cc([n.... |
3 | 6YXI | ic50 = 14 uM | PZ8 | C13 H12 Cl N O2 | Cc1cc(c(n1.... |
4 | 6YV0 | ic50 = 18.6 uM | PQT | C11 H12 Cl N O2 | c1ccc(c(c1.... |
5 | 6R8P | ic50 = 33 uM | JVB | C14 H14 N2 O2 | Cc1ccccc1O.... |
6 | 6TR6 | ic50 = 94 uM | ASE | C12 H14 N2 O2 | CC(=O)NCCc.... |
7 | 6YSK | ic50 = 0.11 uM | PJK | C12 H11 Cl F3 N O2 | c1cc(c(cc1.... |
8 | 6R8R | ic50 = 0.085 uM | JV8 | C18 H16 N2 O2 | Cc1ccccc1O.... |
9 | 6TR5 | ic50 = 75 uM | ML1 | C13 H16 N2 O2 | CC(=O)NCCc.... |
10 | 6TV4 | Kd = 85 uM | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
11 | 4UZL | - | MYZ | C14 H26 O2 | CCCC/C=CCC.... |
12 | 4UZ9 | - | GU4 YYJ | n/a | n/a |
13 | 4UZ6 | - | GU4 YYJ | n/a | n/a |
14 | 4UZQ | - | CYS HIS GLY VAL SER GLY SER CYS PAM | n/a | n/a |
15 | 6YV2 | ic50 = 48 uM | PUE | C11 H13 N O2 | c1ccc(cc1).... |
16 | 6R8Q | ic50 = 0.12 uM | JV5 | C15 H14 N4 O2 | Cc1ccccc1O.... |
17 | 6T2K | - | M9K | C11 H9 Cl N2 O2 S2 | c1nc2c(c(s.... |
18 | 6T2H | - | M9N | C9 H11 Cl N2 O2 S2 | Cc1c(c2c(s.... |
19 | 6ZVL | ic50 = 18 nM | QR2 | C9 H4 Cl F3 N2 O2 | c1cc(c(cc1.... |
20 | 6YUW | ic50 = 12.7 uM | PQZ | C11 H15 N O2 | Cc1cc(c(n1.... |
21 | 6ZUV | ic50 = 11.5 uM | B1J | C9 H8 Cl N3 O | c1cc(ccc1n.... |
22 | 4UYW | Kd = 6.4 uM | SGN UAP | n/a | n/a |
23 | 6YV4 | ic50 = 6.3 uM | PQK | C10 H13 N O2 | Cc1cc(c(n1.... |
24 | 6TUZ | Kd = 6.8 mM | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6TR7 | ic50 = 37 uM | HWH | C12 H13 F N2 O | CC(=O)NCCc.... |
2 | 6YUY | ic50 = 6.7 uM | PQH | C7 H6 F3 N O2 | Cc1c(cc([n.... |
3 | 6YXI | ic50 = 14 uM | PZ8 | C13 H12 Cl N O2 | Cc1cc(c(n1.... |
4 | 6YV0 | ic50 = 18.6 uM | PQT | C11 H12 Cl N O2 | c1ccc(c(c1.... |
5 | 6R8P | ic50 = 33 uM | JVB | C14 H14 N2 O2 | Cc1ccccc1O.... |
6 | 6TR6 | ic50 = 94 uM | ASE | C12 H14 N2 O2 | CC(=O)NCCc.... |
7 | 6YSK | ic50 = 0.11 uM | PJK | C12 H11 Cl F3 N O2 | c1cc(c(cc1.... |
8 | 6R8R | ic50 = 0.085 uM | JV8 | C18 H16 N2 O2 | Cc1ccccc1O.... |
9 | 6TR5 | ic50 = 75 uM | ML1 | C13 H16 N2 O2 | CC(=O)NCCc.... |
10 | 6TV4 | Kd = 85 uM | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
11 | 4UZL | - | MYZ | C14 H26 O2 | CCCC/C=CCC.... |
12 | 4UZ9 | - | GU4 YYJ | n/a | n/a |
13 | 4UZ6 | - | GU4 YYJ | n/a | n/a |
14 | 4UZQ | - | CYS HIS GLY VAL SER GLY SER CYS PAM | n/a | n/a |
15 | 6YV2 | ic50 = 48 uM | PUE | C11 H13 N O2 | c1ccc(cc1).... |
16 | 6R8Q | ic50 = 0.12 uM | JV5 | C15 H14 N4 O2 | Cc1ccccc1O.... |
17 | 6T2K | - | M9K | C11 H9 Cl N2 O2 S2 | c1nc2c(c(s.... |
18 | 6T2H | - | M9N | C9 H11 Cl N2 O2 S2 | Cc1c(c2c(s.... |
19 | 6ZVL | ic50 = 18 nM | QR2 | C9 H4 Cl F3 N2 O2 | c1cc(c(cc1.... |
20 | 6YUW | ic50 = 12.7 uM | PQZ | C11 H15 N O2 | Cc1cc(c(n1.... |
21 | 6ZUV | ic50 = 11.5 uM | B1J | C9 H8 Cl N3 O | c1cc(ccc1n.... |
22 | 4UYW | Kd = 6.4 uM | SGN UAP | n/a | n/a |
23 | 6YV4 | ic50 = 6.3 uM | PQK | C10 H13 N O2 | Cc1cc(c(n1.... |
24 | 6TUZ | Kd = 6.8 mM | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | QR2 | 0.9362 |
2 | WG8 | 0.9340 |
3 | 4ZF | 0.9268 |
4 | U12 | 0.9193 |
5 | M83 | 0.9174 |
6 | WLH | 0.9173 |
7 | VM7 | 0.9163 |
8 | 5ER | 0.9109 |
9 | 1XS | 0.9098 |
10 | NKI | 0.9081 |
11 | 2QU | 0.9075 |
12 | 1V8 | 0.9064 |
13 | 2PW | 0.9063 |
14 | NZ4 | 0.9063 |
15 | 20D | 0.9053 |
16 | B4L | 0.9048 |
17 | Q5M | 0.9045 |
18 | DFL | 0.9044 |
19 | T21 | 0.9040 |
20 | LU2 | 0.9039 |
21 | 78P | 0.9033 |
22 | NAR | 0.9009 |
23 | 1V1 | 0.8999 |
24 | 6BK | 0.8997 |
25 | AGI | 0.8987 |
26 | LI7 | 0.8985 |
27 | A63 | 0.8969 |
28 | 27F | 0.8969 |
29 | EMU | 0.8963 |
30 | SZ5 | 0.8962 |
31 | QUE | 0.8958 |
32 | A73 | 0.8958 |
33 | GNG | 0.8953 |
34 | RGK | 0.8951 |
35 | ZEA | 0.8948 |
36 | 3F4 | 0.8934 |
37 | NU3 | 0.8930 |
38 | OQR | 0.8929 |
39 | 1UZ | 0.8925 |
40 | M3W | 0.8917 |
41 | UV4 | 0.8915 |
42 | K8Y | 0.8910 |
43 | 25F | 0.8907 |
44 | 5XL | 0.8897 |
45 | 49P | 0.8887 |
46 | E9L | 0.8887 |
47 | JCZ | 0.8883 |
48 | RKY | 0.8879 |
49 | QKU | 0.8875 |
50 | YE7 | 0.8870 |
51 | 08C | 0.8870 |
52 | 3D8 | 0.8868 |
53 | CDJ | 0.8864 |
54 | MBP | 0.8858 |
55 | VT3 | 0.8857 |
56 | CWE | 0.8856 |
57 | 5WW | 0.8846 |
58 | 6DH | 0.8844 |
59 | 9JT | 0.8841 |
60 | BUX | 0.8838 |
61 | QUB | 0.8838 |
62 | ENN | 0.8834 |
63 | C4E | 0.8833 |
64 | T61 | 0.8831 |
65 | 7LU | 0.8828 |
66 | 1HP | 0.8824 |
67 | 8M5 | 0.8821 |
68 | A26 | 0.8821 |
69 | X2M | 0.8818 |
70 | J45 | 0.8814 |
71 | BZC | 0.8814 |
72 | JFS | 0.8812 |
73 | H2W | 0.8809 |
74 | 108 | 0.8805 |
75 | HWH | 0.8802 |
76 | 97K | 0.8798 |
77 | 6FX | 0.8798 |
78 | W8L | 0.8797 |
79 | BRY | 0.8796 |
80 | ASE | 0.8795 |
81 | L2K | 0.8795 |
82 | BBP | 0.8794 |
83 | IDZ | 0.8791 |
84 | O9Z | 0.8787 |
85 | DH2 | 0.8784 |
86 | A64 | 0.8783 |
87 | 53X | 0.8782 |
88 | O9T | 0.8779 |
89 | 1UR | 0.8779 |
90 | 9PP | 0.8775 |
91 | G2V | 0.8774 |
92 | 2P3 | 0.8771 |
93 | H32 | 0.8769 |
94 | 120 | 0.8764 |
95 | 9CE | 0.8763 |
96 | 801 | 0.8758 |
97 | 1V0 | 0.8758 |
98 | G30 | 0.8757 |
99 | 338 | 0.8757 |
100 | 91F | 0.8754 |
101 | F40 | 0.8751 |
102 | JMM | 0.8746 |
103 | ZEZ | 0.8746 |
104 | ZIP | 0.8741 |
105 | BMZ | 0.8738 |
106 | 0NJ | 0.8735 |
107 | ZRK | 0.8734 |
108 | F18 | 0.8724 |
109 | WA2 | 0.8724 |
110 | PE2 | 0.8724 |
111 | 135 | 0.8723 |
112 | STL | 0.8723 |
113 | 4K2 | 0.8721 |
114 | KMP | 0.8718 |
115 | 6TJ | 0.8714 |
116 | 57D | 0.8714 |
117 | CR4 | 0.8713 |
118 | 6F3 | 0.8713 |
119 | HWB | 0.8711 |
120 | X2L | 0.8711 |
121 | O53 | 0.8709 |
122 | BMC | 0.8703 |
123 | C0Y | 0.8702 |
124 | 0SY | 0.8699 |
125 | 47V | 0.8698 |
126 | KWV | 0.8698 |
127 | FSE | 0.8696 |
128 | 2JX | 0.8693 |
129 | 68C | 0.8693 |
130 | 1UT | 0.8692 |
131 | BXS | 0.8692 |
132 | MT6 | 0.8691 |
133 | NIY | 0.8688 |
134 | N5B | 0.8682 |
135 | 7G2 | 0.8682 |
136 | DFV | 0.8672 |
137 | RUG | 0.8663 |
138 | LWA | 0.8660 |
139 | 122 | 0.8657 |
140 | 8E3 | 0.8655 |
141 | HH6 | 0.8655 |
142 | F36 | 0.8647 |
143 | MRE | 0.8645 |
144 | 5VU | 0.8642 |
145 | 1V4 | 0.8641 |
146 | 124 | 0.8640 |
147 | ML1 | 0.8636 |
148 | 1V3 | 0.8636 |
149 | DX8 | 0.8636 |
150 | BJ4 | 0.8634 |
151 | AHR AHR | 0.8633 |
152 | BIH | 0.8632 |
153 | 907 | 0.8625 |
154 | XAV | 0.8622 |
155 | 3WO | 0.8621 |
156 | 3WN | 0.8621 |
157 | 29F | 0.8621 |
158 | HFT | 0.8621 |
159 | SGW | 0.8616 |
160 | EST | 0.8615 |
161 | C0V | 0.8610 |
162 | 5E5 | 0.8609 |
163 | X8I | 0.8609 |
164 | FER | 0.8606 |
165 | LR2 | 0.8605 |
166 | CG | 0.8603 |
167 | D87 | 0.8603 |
168 | 39Z | 0.8597 |
169 | 3GX | 0.8596 |
170 | 5NN | 0.8596 |
171 | P4L | 0.8594 |
172 | JTF | 0.8589 |
173 | JCQ | 0.8588 |
174 | 6B5 | 0.8587 |
175 | 7L4 | 0.8587 |
176 | 3CA | 0.8582 |
177 | ITE | 0.8581 |
178 | FLF | 0.8580 |
179 | WDW | 0.8579 |
180 | UN4 | 0.8579 |
181 | 3Q0 | 0.8572 |
182 | 5V7 | 0.8569 |
183 | 7G0 | 0.8567 |
184 | AZY | 0.8565 |
185 | Q9T | 0.8561 |
186 | AV6 | 0.8558 |
187 | 58N | 0.8553 |
188 | 7FZ | 0.8550 |
189 | SDN | 0.8543 |
190 | CX6 | 0.8539 |
191 | MHB | 0.8536 |
192 | 28A | 0.8535 |
193 | FBC | 0.8529 |
This union binding pocket(no: 1) in the query (biounit: 6zvl.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |