- 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 1331 families. | |||||
1 | 5R8J | - | S8D | C10 H20 N2 O2 | CCNC(=O)CN.... |
2 | 5R85 | - | S7A | C7 H11 F3 N2 O | C1CN(CCN1).... |
3 | 5R8Q | - | JGY | C10 H15 N3 O2 | Cn1ccc(n1).... |
4 | 5R8C | - | M25 | C10 H14 N2 O3 S | CC(=O)NCCc.... |
5 | 5R8N | - | S8J | C11 H13 N5 O2 | CCOc1cccc(.... |
6 | 5R8D | - | S7J | C6 H4 F3 N3 O | c1c(cnc(n1.... |
7 | 5R8O | - | S8P | C10 H14 N2 O2 S | Cc1cc(ns1).... |
8 | 5R8A | - | S7G | C11 H14 N2 O | CC(=O)N[C@.... |
9 | 5R8B | - | K34 | C5 H4 N4 S | c1csc(n1)c.... |
10 | 5R8I | - | A7N | C10 H15 N O | CCOc1ccc(c.... |
11 | 5R8H | - | T91 | C14 H19 N3 O | CC(C)(C)C(.... |
12 | 5R8M | - | S8G | C9 H15 F3 N2 O | C1C[C@H](C.... |
13 | 5R89 | - | S7D | C10 H15 N3 O2 | C[C@H]1CN(.... |
14 | 5R8E | - | S7S | C7 H13 N5 O | CCCC(=O)Nc.... |
15 | 5R8G | - | S7V | C12 H17 N O2 | c1ccc(cc1).... |
16 | 5R8K | - | S8D | C10 H20 N2 O2 | CCNC(=O)CN.... |
17 | 5R8F | - | K3Y | C10 H16 N4 O | Cn1cc(c(n1.... |
18 | 5R8L | - | NY4 | C12 H16 N2 O | C[C@@H](c1.... |
19 | 5R88 | - | LWA | C12 H14 N2 O3 | c1cc(ccc1C.... |
20 | 5R86 | - | GT4 | C9 H11 N O3 | COCC(=O)Nc.... |
21 | 5R8P | - | S8V | C8 H15 N O | C1COC[C@@H.... |
22 | 5R87 | - | K0G | C12 H11 N3 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5R8J | - | S8D | C10 H20 N2 O2 | CCNC(=O)CN.... |
2 | 5R85 | - | S7A | C7 H11 F3 N2 O | C1CN(CCN1).... |
3 | 5R8Q | - | JGY | C10 H15 N3 O2 | Cn1ccc(n1).... |
4 | 5R8C | - | M25 | C10 H14 N2 O3 S | CC(=O)NCCc.... |
5 | 5R8N | - | S8J | C11 H13 N5 O2 | CCOc1cccc(.... |
6 | 5R8D | - | S7J | C6 H4 F3 N3 O | c1c(cnc(n1.... |
7 | 5R8O | - | S8P | C10 H14 N2 O2 S | Cc1cc(ns1).... |
8 | 5R8A | - | S7G | C11 H14 N2 O | CC(=O)N[C@.... |
9 | 5R8B | - | K34 | C5 H4 N4 S | c1csc(n1)c.... |
10 | 5R8I | - | A7N | C10 H15 N O | CCOc1ccc(c.... |
11 | 5R8H | - | T91 | C14 H19 N3 O | CC(C)(C)C(.... |
12 | 5R8M | - | S8G | C9 H15 F3 N2 O | C1C[C@H](C.... |
13 | 5R89 | - | S7D | C10 H15 N3 O2 | C[C@H]1CN(.... |
14 | 5R8E | - | S7S | C7 H13 N5 O | CCCC(=O)Nc.... |
15 | 5R8G | - | S7V | C12 H17 N O2 | c1ccc(cc1).... |
16 | 5R8K | - | S8D | C10 H20 N2 O2 | CCNC(=O)CN.... |
17 | 5R8F | - | K3Y | C10 H16 N4 O | Cn1cc(c(n1.... |
18 | 5R8L | - | NY4 | C12 H16 N2 O | C[C@@H](c1.... |
19 | 5R88 | - | LWA | C12 H14 N2 O3 | c1cc(ccc1C.... |
20 | 5R86 | - | GT4 | C9 H11 N O3 | COCC(=O)Nc.... |
21 | 5R8P | - | S8V | C8 H15 N O | C1COC[C@@H.... |
22 | 5R87 | - | K0G | C12 H11 N3 O | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | WA1 | 0.9954 |
2 | ZTW | 0.9589 |
3 | CIU | 0.9413 |
4 | 397 | 0.9338 |
5 | D26 | 0.9300 |
6 | MKN | 0.9285 |
7 | HPK | 0.9269 |
8 | KLS | 0.9265 |
9 | STL | 0.9264 |
10 | 6P3 | 0.9247 |
11 | LR8 | 0.9241 |
12 | 9EG | 0.9240 |
13 | G2V | 0.9222 |
14 | FHV | 0.9202 |
15 | D25 | 0.9199 |
16 | S0B | 0.9195 |
17 | RDV | 0.9183 |
18 | 6H2 | 0.9160 |
19 | MR4 | 0.9148 |
20 | S0D | 0.9138 |
21 | P4T | 0.9120 |
22 | 9JT | 0.9108 |
23 | PIT | 0.9108 |
24 | OLU | 0.9103 |
25 | 4CN | 0.9087 |
26 | S0A | 0.9055 |
27 | BMZ | 0.9051 |
28 | 5OR | 0.9041 |
29 | 39R | 0.9032 |
30 | 1Q2 | 0.9031 |
31 | HPX | 0.9014 |
32 | RF2 | 0.9014 |
33 | 6C8 | 0.9009 |
34 | IW3 | 0.9003 |
35 | EES | 0.9001 |
36 | MR5 | 0.8998 |
37 | LJ2 | 0.8992 |
38 | 3CX | 0.8982 |
39 | L02 | 0.8982 |
40 | CR4 | 0.8982 |
41 | ESJ | 0.8974 |
42 | IPJ | 0.8971 |
43 | 120 | 0.8969 |
44 | 0NJ | 0.8966 |
45 | BX4 | 0.8963 |
46 | VC3 | 0.8963 |
47 | 801 | 0.8962 |
48 | 8M5 | 0.8950 |
49 | 124 | 0.8944 |
50 | CT0 | 0.8938 |
51 | 83D | 0.8929 |
52 | 5VU | 0.8927 |
53 | M4N | 0.8926 |
54 | LJ1 | 0.8917 |
55 | REG | 0.8916 |
56 | 8V8 | 0.8915 |
57 | 5TT | 0.8915 |
58 | 5TO | 0.8913 |
59 | A51 | 0.8909 |
60 | U13 | 0.8902 |
61 | BVB | 0.8894 |
62 | 0MB | 0.8890 |
63 | WG8 | 0.8886 |
64 | 7EH | 0.8880 |
65 | 6FG | 0.8878 |
66 | 7FZ | 0.8874 |
67 | LR2 | 0.8867 |
68 | 72D | 0.8865 |
69 | TID | 0.8862 |
70 | 122 | 0.8858 |
71 | AZB | 0.8856 |
72 | C0V | 0.8846 |
73 | IW5 | 0.8844 |
74 | 0UL | 0.8843 |
75 | 135 | 0.8837 |
76 | 4P9 | 0.8833 |
77 | PQM | 0.8832 |
78 | AD6 | 0.8823 |
79 | L2K | 0.8819 |
80 | 4ZF | 0.8818 |
81 | BXS | 0.8817 |
82 | AOY | 0.8817 |
83 | F18 | 0.8815 |
84 | 68C | 0.8814 |
85 | ZRK | 0.8814 |
86 | IJ6 | 0.8813 |
87 | LJ5 | 0.8810 |
88 | BC5 | 0.8800 |
89 | F5N | 0.8796 |
90 | 0XR | 0.8795 |
91 | TEF | 0.8791 |
92 | LZ4 | 0.8790 |
93 | HCC | 0.8783 |
94 | MR6 | 0.8782 |
95 | 3VQ | 0.8782 |
96 | 2OX | 0.8781 |
97 | 3K1 | 0.8781 |
98 | 4FC | 0.8777 |
99 | JMG | 0.8773 |
100 | ZUF | 0.8771 |
101 | 1EB | 0.8770 |
102 | A9B | 0.8765 |
103 | 3VS | 0.8764 |
104 | A6W | 0.8764 |
105 | CDX | 0.8764 |
106 | PQS | 0.8755 |
107 | C4E | 0.8747 |
108 | IIH | 0.8744 |
109 | 47V | 0.8741 |
110 | 23M | 0.8740 |
111 | S45 | 0.8740 |
112 | 5TU | 0.8739 |
113 | 4BX | 0.8738 |
114 | MI2 | 0.8736 |
115 | UAY | 0.8730 |
116 | 121 | 0.8728 |
117 | 1Q1 | 0.8725 |
118 | WCU | 0.8722 |
119 | D8B | 0.8721 |
120 | AP6 | 0.8715 |
121 | KLE | 0.8711 |
122 | FBC | 0.8705 |
123 | LIG | 0.8704 |
124 | MJW | 0.8703 |
125 | PIQ | 0.8703 |
126 | 0SY | 0.8696 |
127 | A8D | 0.8691 |
128 | 1V8 | 0.8688 |
129 | 4AU | 0.8684 |
130 | LWA | 0.8684 |
131 | LPA | 0.8680 |
132 | RE2 | 0.8677 |
133 | 0DF | 0.8677 |
134 | Z3R | 0.8676 |
135 | 833 | 0.8675 |
136 | 2M7 | 0.8670 |
137 | IW4 | 0.8666 |
138 | HRG | 0.8663 |
139 | 1OT | 0.8661 |
140 | 1HP | 0.8659 |
141 | 789 | 0.8659 |
142 | U55 | 0.8658 |
143 | 47X | 0.8653 |
144 | A5Q | 0.8647 |
145 | 7G0 | 0.8647 |
146 | DZ3 | 0.8645 |
147 | 802 | 0.8642 |
148 | 6BK | 0.8636 |
149 | IDZ | 0.8632 |
150 | NFZ | 0.8621 |
151 | 6C5 | 0.8618 |
152 | 1XS | 0.8614 |
153 | J84 | 0.8612 |
154 | 6C4 | 0.8606 |
155 | 5H6 | 0.8606 |
156 | CX5 | 0.8592 |
157 | ZRL | 0.8591 |
158 | 4UM | 0.8588 |
159 | 0K7 | 0.8584 |
160 | M28 | 0.8573 |
161 | 6DQ | 0.8571 |
162 | JL7 | 0.8567 |
163 | 205 | 0.8545 |
164 | 246 | 0.8542 |
165 | A26 | 0.8542 |
166 | TFQ | 0.8539 |
167 | BFL | 0.8536 |
This union binding pocket(no: 1) in the query (biounit: 5r8q.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |