- 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 2 families. | |||||
1 | 2BU8 | - | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
2 | 1JM6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 6LIO | Kd = 64.4 nM | EH3 | C30 H34 Cl N3 O9 S | CS(=O)(=O).... |
4 | 2BU6 | - | TF2 | C19 H21 F3 N2 O4 S | CC[N@@](c1.... |
5 | 4MPN | Kd = 239 nM | PV0 | C14 H13 N O6 S | c1cc(c(cc1.... |
6 | 5M4M | Ki = 1.02 uM | 7FW | C31 H26 N4 O4 | CN(Cc1ccc2.... |
7 | 2BU7 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
8 | 5J71 | - | P35 | C19 H23 N3 O4 S | c1cc2c(cc1.... |
9 | 4MP2 | Kd = 3570 nM | PV1 | C15 H12 Br N O3 | c1ccc2c(c1.... |
10 | 4MPE | Kd = 426 nM | PV8 | C14 H13 N O5 S | c1cc2c(cc1.... |
11 | 5J6A | Kd = 22 nM | P46 | C23 H27 N5 O6 S | c1cc2cn(cc.... |
12 | 4V26 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
13 | 5M4P | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
14 | 2BU5 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
15 | 2BU2 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
16 | 6LIL | - | EGX | C22 H19 N3 O2 | c1ccc2c(c1.... |
17 | 4MP7 | Kd = 1827 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
18 | 4MPC | Kd = 711 nM | PV2 | C14 H13 N O4 S | c1ccc2c(c1.... |
19 | 2Q8H | Ki = 1 mM | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
20 | 2Q8G | ic50 = 0.087 uM | AZX | C19 H18 Cl F3 N2 O5 S | C[C@@](C(=.... |
21 | 3D2R | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
22 | 2ZKJ | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
23 | 2ZDY | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
24 | 2E0A | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2BU8 | - | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
2 | 1JM6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 6LIO | Kd = 64.4 nM | EH3 | C30 H34 Cl N3 O9 S | CS(=O)(=O).... |
4 | 2BU6 | - | TF2 | C19 H21 F3 N2 O4 S | CC[N@@](c1.... |
5 | 4MPN | Kd = 239 nM | PV0 | C14 H13 N O6 S | c1cc(c(cc1.... |
6 | 5M4M | Ki = 1.02 uM | 7FW | C31 H26 N4 O4 | CN(Cc1ccc2.... |
7 | 2BU7 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
8 | 5J71 | - | P35 | C19 H23 N3 O4 S | c1cc2c(cc1.... |
9 | 4MP2 | Kd = 3570 nM | PV1 | C15 H12 Br N O3 | c1ccc2c(c1.... |
10 | 4MPE | Kd = 426 nM | PV8 | C14 H13 N O5 S | c1cc2c(cc1.... |
11 | 5J6A | Kd = 22 nM | P46 | C23 H27 N5 O6 S | c1cc2cn(cc.... |
12 | 4V26 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
13 | 5M4P | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
14 | 2BU5 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
15 | 2BU2 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
16 | 6LIL | - | EGX | C22 H19 N3 O2 | c1ccc2c(c1.... |
17 | 4MP7 | Kd = 1827 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
18 | 4MPC | Kd = 711 nM | PV2 | C14 H13 N O4 S | c1ccc2c(c1.... |
19 | 2Q8H | Ki = 1 mM | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
20 | 2Q8G | ic50 = 0.087 uM | AZX | C19 H18 Cl F3 N2 O5 S | C[C@@](C(=.... |
21 | 3D2R | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
22 | 2ZKJ | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
23 | 2ZDY | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
24 | 2E0A | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PV2 | 0.9518 |
2 | BGK | 0.9389 |
3 | PV8 | 0.9388 |
4 | 9ME | 0.9387 |
5 | TCT | 0.9357 |
6 | DBE | 0.9347 |
7 | 7ZO | 0.9334 |
8 | WCU | 0.9257 |
9 | LVY | 0.9251 |
10 | CHV | 0.9245 |
11 | SVG | 0.9245 |
12 | 27M | 0.9244 |
13 | 4EU | 0.9240 |
14 | 9JT | 0.9225 |
15 | PV0 | 0.9191 |
16 | 9MK | 0.9184 |
17 | 7XX | 0.9172 |
18 | 5F4 | 0.9153 |
19 | S46 | 0.9139 |
20 | BXZ | 0.9114 |
21 | Q8D | 0.9097 |
22 | CUQ | 0.9092 |
23 | DCN | 0.9068 |
24 | BZM | 0.9067 |
25 | CUH | 0.9066 |
26 | 9JH | 0.9043 |
27 | 4RV | 0.9039 |
28 | 9W7 | 0.9027 |
29 | 4AU | 0.9023 |
30 | Q8G | 0.9016 |
31 | 4KN | 0.9013 |
32 | JE7 | 0.9009 |
33 | LR2 | 0.9008 |
34 | FT1 | 0.9004 |
35 | 9RK | 0.8993 |
36 | A8K | 0.8978 |
37 | 2OH | 0.8978 |
38 | FT3 | 0.8970 |
39 | F4U | 0.8965 |
40 | KUP | 0.8961 |
41 | J84 | 0.8959 |
42 | 43J | 0.8948 |
43 | H48 | 0.8944 |
44 | QTJ | 0.8943 |
45 | IPJ | 0.8940 |
46 | KXN | 0.8939 |
47 | FT2 | 0.8936 |
48 | 5R9 | 0.8934 |
49 | TPM | 0.8933 |
50 | C4F | 0.8927 |
51 | LZJ | 0.8922 |
52 | TCL | 0.8910 |
53 | 5C1 | 0.8907 |
54 | PZX | 0.8906 |
55 | 2OX | 0.8903 |
56 | 0X2 | 0.8901 |
57 | 4L2 | 0.8899 |
58 | JF5 | 0.8886 |
59 | VIB | 0.8885 |
60 | 7FX | 0.8881 |
61 | A18 | 0.8875 |
62 | CBE | 0.8872 |
63 | FB4 | 0.8868 |
64 | QTD | 0.8867 |
65 | ZW2 | 0.8865 |
66 | 4YE | 0.8864 |
67 | SJR | 0.8855 |
68 | CUT | 0.8852 |
69 | SNJ | 0.8847 |
70 | FX5 | 0.8847 |
71 | 1FL | 0.8843 |
72 | AX8 | 0.8838 |
73 | DZ1 | 0.8832 |
74 | YUG | 0.8822 |
75 | F41 | 0.8820 |
76 | QTS | 0.8815 |
77 | 62P | 0.8813 |
78 | XYS XYS | 0.8812 |
79 | Q11 | 0.8808 |
80 | 1SF | 0.8801 |
81 | ESJ | 0.8795 |
82 | JVD | 0.8793 |
83 | MW5 | 0.8783 |
84 | XDI | 0.8782 |
85 | EV2 | 0.8780 |
86 | 5R8 | 0.8779 |
87 | FL9 | 0.8778 |
88 | IXE | 0.8774 |
89 | WVV | 0.8766 |
90 | S45 | 0.8764 |
91 | OJD | 0.8763 |
92 | AJ4 | 0.8761 |
93 | TCC | 0.8759 |
94 | XDH | 0.8753 |
95 | 5F7 | 0.8753 |
96 | WDW | 0.8750 |
97 | 9HK | 0.8746 |
98 | 5RU | 0.8734 |
99 | 47V | 0.8728 |
100 | 8OE | 0.8726 |
101 | L23 | 0.8720 |
102 | 8OB | 0.8719 |
103 | QTV | 0.8714 |
104 | NAR | 0.8712 |
105 | CMP | 0.8711 |
106 | JOB | 0.8711 |
107 | EMU | 0.8711 |
108 | 51P | 0.8705 |
109 | WL3 | 0.8692 |
110 | 40N | 0.8685 |
111 | CC6 | 0.8680 |
112 | 6WS | 0.8677 |
113 | MQR | 0.8676 |
114 | 5WK | 0.8671 |
115 | RK4 | 0.8668 |
116 | A7Q | 0.8665 |
117 | Q9P | 0.8664 |
118 | HH6 | 0.8662 |
119 | 0OY | 0.8661 |
120 | 4L6 | 0.8660 |
121 | EAT | 0.8657 |
122 | MRI | 0.8653 |
123 | 28E | 0.8653 |
124 | J3B | 0.8648 |
125 | H7S | 0.8640 |
126 | JD7 | 0.8639 |
127 | FM2 | 0.8639 |
128 | 0OP | 0.8637 |
129 | 2L1 | 0.8635 |
130 | AX4 | 0.8624 |
131 | MEX | 0.8624 |
132 | 5NR | 0.8615 |
133 | EFT | 0.8609 |
134 | RKY | 0.8607 |
135 | LFK | 0.8604 |
136 | 5TO | 0.8602 |
137 | 7VF | 0.8601 |
138 | D25 | 0.8600 |
139 | 4NR | 0.8593 |
140 | 1HR | 0.8593 |
141 | 43F | 0.8590 |
142 | TOP | 0.8590 |
143 | 3IP | 0.8590 |
144 | 536 | 0.8584 |
145 | 3CA | 0.8580 |
146 | AUE | 0.8578 |
147 | MJ5 | 0.8574 |
148 | 7PS | 0.8571 |
149 | AP6 | 0.8571 |
150 | SP1 | 0.8566 |
151 | 16J | 0.8565 |
152 | B4L | 0.8563 |
153 | 0QV | 0.8561 |
154 | FPL | 0.8560 |
155 | R75 | 0.8559 |
156 | KW7 | 0.8549 |
157 | 6XC | 0.8541 |
158 | JOT | 0.8541 |
159 | X29 | 0.8541 |
160 | D8X | 0.8538 |
161 | DP4 | 0.8535 |
162 | IQW | 0.8532 |
163 | IPL | 0.8532 |
164 | EJ5 | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 5j6a.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5j6a.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |