- 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 9 families. | |||||
1 | 2ON6 | Ki = 172 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 2A0Y | Ki = 900 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
3 | 1RR6 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 2A0X | Ki = 950 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
5 | 3GB9 | - | A2F | C5 H4 F N5 | c1[nH]c2c(.... |
6 | 1RT9 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
7 | 5UGF | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
8 | 3BGS | Ki = 380 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
9 | 1RSZ | - | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
10 | 2A0W | Ki = 270 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
11 | 1B8O | Ki = 23 pM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
12 | 1A9T | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
13 | 1VFN | Ki = 2.5 uM | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
14 | 2QPL | ic50 = 18.9 uM | BTY | C6 H7 N5 O | Cc1cc2n(n1.... |
15 | 2AI1 | ic50 = 300 nM | P1G | C12 H16 N5 O8 P | c1nc2c(n1[.... |
16 | 1B8N | Ki = 30 pM | IMG | C11 H15 N5 O4 | c1c(c2c([n.... |
17 | 1A9S | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
18 | 2AI3 | ic50 = 5000 nM | P2G | C11 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 1LVU | Kd = 4.8 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
20 | 1A9P | - | 9DI | C11 H13 N3 O5 | c1c(c2c([n.... |
21 | 2AI2 | ic50 = 30 nM | P1D | C13 H16 N3 O8 P | c1c(c2c([n.... |
22 | 1V48 | Ki = 16 nM | HA1 | C10 H14 F2 N5 O4 P | c1nc2c(n1C.... |
23 | 1A9Q | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 3FUC | Kd = 190 pM | 9D9 | C11 H15 F2 N4 O4 P | c1c(c2c([n.... |
25 | 1A9R | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 1LV8 | Kd = 3.5 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
27 | 1FXU | - | GU7 | C10 H16 N6 O3 | c1nc2c(n1C.... |
28 | 4EAR | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
29 | 5ETJ | Kd = 66 pM | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
30 | 4EB8 | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2ON6 | Ki = 172 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 2A0Y | Ki = 900 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
3 | 1RR6 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 2A0X | Ki = 950 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
5 | 3GB9 | - | A2F | C5 H4 F N5 | c1[nH]c2c(.... |
6 | 1RT9 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
7 | 5UGF | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
8 | 3BGS | Ki = 380 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
9 | 1RSZ | - | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
10 | 2A0W | Ki = 270 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
11 | 1B8O | Ki = 23 pM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
12 | 1A9T | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
13 | 1VFN | Ki = 2.5 uM | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
14 | 2QPL | ic50 = 18.9 uM | BTY | C6 H7 N5 O | Cc1cc2n(n1.... |
15 | 2AI1 | ic50 = 300 nM | P1G | C12 H16 N5 O8 P | c1nc2c(n1[.... |
16 | 1B8N | Ki = 30 pM | IMG | C11 H15 N5 O4 | c1c(c2c([n.... |
17 | 1A9S | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
18 | 2AI3 | ic50 = 5000 nM | P2G | C11 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 1LVU | Kd = 4.8 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
20 | 1A9P | - | 9DI | C11 H13 N3 O5 | c1c(c2c([n.... |
21 | 2AI2 | ic50 = 30 nM | P1D | C13 H16 N3 O8 P | c1c(c2c([n.... |
22 | 1V48 | Ki = 16 nM | HA1 | C10 H14 F2 N5 O4 P | c1nc2c(n1C.... |
23 | 1A9Q | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 3FUC | Kd = 190 pM | 9D9 | C11 H15 F2 N4 O4 P | c1c(c2c([n.... |
25 | 1A9R | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 1LV8 | Kd = 3.5 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
27 | 1FXU | - | GU7 | C10 H16 N6 O3 | c1nc2c(n1C.... |
28 | 5IFK | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
29 | 5TBT | - | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
30 | 5TBU | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
31 | 5TBS | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
32 | 4EAR | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
33 | 5ETJ | Kd = 66 pM | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
34 | 4EB8 | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
35 | 2P4S | Ki = 0.31 nM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
36 | 3FB1 | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
37 | 3E9R | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
38 | 3E0Q | - | JFD | C4 H4 Br N3 O2 | C1(=C(NC(=.... |
39 | 3FNQ | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
40 | 3FAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
41 | 3IEX | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
42 | 3DJF | ic50 = 0.8 uM | BC3 | C12 H11 N5 O | c1cc(cnc1).... |
43 | 3F8W | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
44 | 1VMK | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DIH | 0.9817 |
2 | PE2 | 0.9386 |
3 | C1Y | 0.9343 |
4 | CWE | 0.9310 |
5 | B5A | 0.9231 |
6 | 94M | 0.9228 |
7 | C4F | 0.9183 |
8 | MDR | 0.9157 |
9 | IMH | 0.9140 |
10 | GA2 | 0.9134 |
11 | 5P7 | 0.9120 |
12 | IMG | 0.9114 |
13 | TDI | 0.9108 |
14 | GMP | 0.9094 |
15 | AX8 | 0.9088 |
16 | EX7 | 0.9074 |
17 | NXB | 0.9067 |
18 | 12R | 0.9064 |
19 | 9DI | 0.9051 |
20 | TBN | 0.9050 |
21 | NOS | 0.9043 |
22 | LI4 | 0.9036 |
23 | 2FD | 0.9025 |
24 | KUP | 0.9016 |
25 | ASE | 0.9010 |
26 | ADN | 0.9009 |
27 | AX5 | 0.8989 |
28 | EXG | 0.8977 |
29 | 8HG | 0.8966 |
30 | FMC | 0.8950 |
31 | WA2 | 0.8950 |
32 | X2M | 0.8940 |
33 | LJ2 | 0.8939 |
34 | 6IP | 0.8937 |
35 | ZEA | 0.8936 |
36 | MTA | 0.8928 |
37 | DE7 | 0.8926 |
38 | EXP | 0.8925 |
39 | 4WF | 0.8924 |
40 | 2FA | 0.8922 |
41 | 4Y2 | 0.8922 |
42 | CDY | 0.8914 |
43 | GU7 | 0.8913 |
44 | L12 | 0.8905 |
45 | MTH | 0.8902 |
46 | IW4 | 0.8902 |
47 | GNG | 0.8901 |
48 | XYA | 0.8897 |
49 | A4V | 0.8890 |
50 | 5ER | 0.8888 |
51 | 4UO | 0.8884 |
52 | MTM | 0.8882 |
53 | QDR | 0.8874 |
54 | LJ1 | 0.8870 |
55 | V15 | 0.8869 |
56 | 3TI | 0.8868 |
57 | 39Z | 0.8858 |
58 | RE4 | 0.8858 |
59 | FVY | 0.8858 |
60 | ON1 | 0.8856 |
61 | 1Q4 | 0.8839 |
62 | 100 | 0.8837 |
63 | 4YF | 0.8836 |
64 | FM1 | 0.8835 |
65 | HH2 | 0.8831 |
66 | 5F1 | 0.8829 |
67 | CL9 | 0.8825 |
68 | FMB | 0.8822 |
69 | 3D1 | 0.8818 |
70 | AC2 | 0.8816 |
71 | PMM | 0.8815 |
72 | QUG | 0.8811 |
73 | RAB | 0.8811 |
74 | QS4 | 0.8803 |
75 | 4VT | 0.8800 |
76 | DBM | 0.8800 |
77 | 5BX | 0.8798 |
78 | GWD | 0.8795 |
79 | FM2 | 0.8792 |
80 | JYN | 0.8791 |
81 | ML1 | 0.8790 |
82 | 4F0 | 0.8786 |
83 | 0OP | 0.8780 |
84 | DX6 | 0.8775 |
85 | 1UA | 0.8773 |
86 | 2L2 | 0.8770 |
87 | NQ7 | 0.8767 |
88 | B1T | 0.8766 |
89 | HWH | 0.8765 |
90 | TYP | 0.8752 |
91 | CDX | 0.8752 |
92 | B4L | 0.8747 |
93 | 8MF | 0.8746 |
94 | QTS | 0.8746 |
95 | 43O | 0.8744 |
96 | JXQ | 0.8744 |
97 | M1D | 0.8738 |
98 | NW1 | 0.8734 |
99 | 2N0 | 0.8725 |
100 | 0RU | 0.8716 |
101 | 6XC | 0.8709 |
102 | 0XR | 0.8708 |
103 | ZIP | 0.8707 |
104 | 1OX | 0.8706 |
105 | 96Z | 0.8703 |
106 | JWW | 0.8703 |
107 | RNK | 0.8690 |
108 | 6U5 | 0.8689 |
109 | 5AD | 0.8685 |
110 | 3AK | 0.8679 |
111 | DYZ | 0.8677 |
112 | IEE | 0.8677 |
113 | 50Q | 0.8666 |
114 | NWD | 0.8665 |
115 | AIQ | 0.8665 |
116 | WG8 | 0.8660 |
117 | ZEZ | 0.8656 |
118 | M77 | 0.8656 |
119 | 7WD | 0.8655 |
120 | JMQ | 0.8654 |
121 | OS2 | 0.8653 |
122 | 9PP | 0.8648 |
123 | SNI | 0.8648 |
124 | STV | 0.8646 |
125 | CWP | 0.8641 |
126 | R4E | 0.8641 |
127 | MTP | 0.8637 |
128 | 8DA | 0.8636 |
129 | TAL | 0.8630 |
130 | Q5M | 0.8629 |
131 | RCM | 0.8626 |
132 | IAV | 0.8623 |
133 | 5HG | 0.8622 |
134 | 8KW | 0.8609 |
135 | 6QT | 0.8607 |
136 | TQ3 | 0.8605 |
137 | AEY | 0.8600 |
138 | DGO Z61 | 0.8598 |
139 | 5WN | 0.8594 |
140 | NWL | 0.8591 |
141 | TRP | 0.8581 |
142 | 8Y7 | 0.8569 |
143 | THM | 0.8567 |
144 | GLY NIY | 0.8562 |
145 | T34 | 0.8557 |
146 | H4B | 0.8556 |
147 | P2L | 0.8555 |
148 | QNI | 0.8544 |
149 | JCQ | 0.8541 |
150 | 3IL | 0.8529 |
151 | 4P8 | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 2a0w.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2a0w.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2a0w.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |