- 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 20 families. | |||||
1 | 4MJR | Ki = 283 uM | 0LA | C15 H12 Cl N O2 | C[C@@H](c1.... |
2 | 4N94 | - | 2HO | C7 H5 F2 N O | c1cc(c(cc1.... |
3 | 4N98 | Ki = 280 uM | 4FC | C13 H9 F O2 | c1cc(ccc1c.... |
4 | 4N95 | - | 2HQ | C8 H4 Cl N O2 | c1cc2c(cc1.... |
5 | 4MJQ | Ki = 193 uM | 27R | C15 H12 Br N O3 | c1cc(c(c(c.... |
6 | 3D1E | - | THR LEU MET THR GLY GLN LEU GLY LEU PHE | n/a | n/a |
7 | 6FVM | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
8 | 3D1G | Ki ~ 10 uM | 322 | C14 H13 Br2 N O5 S2 | CCOc1cc(c(.... |
9 | 4K3O | Kd = 36.7 uM | ACE GLN ALA ASP LEU PHE | n/a | n/a |
10 | 4K3L | ic50 = 1.1 mM | ACE LEU PHE | n/a | n/a |
11 | 4N9A | Ki = 64 uM | 2J2 | C13 H12 Cl N O2 | c1cc2c(cc1.... |
12 | 4K3K | ic50 = 4.44 mM | SFK | C15 H21 N O3 | CC(C)CCC(=.... |
13 | 3D1F | - | SER GLU GLN VAL GLU LEU GLU PHE ASP 323 | n/a | n/a |
14 | 4K3M | Kd = 281.2 uM | ALA LEU ASP LEU PHE | n/a | n/a |
15 | 4K3R | Kd = 259.1 uM | ACE GLN LEU ASP LEU ALA | n/a | n/a |
16 | 4K3Q | Kd = 115.1 uM | ACE GLN LEU ASP ALA PHE | n/a | n/a |
17 | 4K3P | Kd = 1.6 uM | ACE GLN LEU ALA LEU PHE | n/a | n/a |
18 | 4N99 | Ki = 216 uM | 2J1 | C13 H12 Cl N O2 | c1c2c(cc(c.... |
19 | 4MJP | Ki = 131 uM | 27O | C19 H22 O2 | C[C@H](c1c.... |
20 | 6FVL | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
21 | 4N96 | - | 6NI | C7 H5 N3 O2 | c1cc2cn[nH.... |
22 | 4N97 | - | 2HU | C8 H6 N2 O2 | c1cc2c(cc[.... |
23 | 4TSZ | Kd = 99 nM | ACE GLN ALC ASP LEU ZCL | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 4MJR | Ki = 283 uM | 0LA | C15 H12 Cl N O2 | C[C@@H](c1.... |
2 | 4N94 | - | 2HO | C7 H5 F2 N O | c1cc(c(cc1.... |
3 | 4N98 | Ki = 280 uM | 4FC | C13 H9 F O2 | c1cc(ccc1c.... |
4 | 4N95 | - | 2HQ | C8 H4 Cl N O2 | c1cc2c(cc1.... |
5 | 4MJQ | Ki = 193 uM | 27R | C15 H12 Br N O3 | c1cc(c(c(c.... |
6 | 3D1E | - | THR LEU MET THR GLY GLN LEU GLY LEU PHE | n/a | n/a |
7 | 6FVM | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
8 | 3D1G | Ki ~ 10 uM | 322 | C14 H13 Br2 N O5 S2 | CCOc1cc(c(.... |
9 | 4K3O | Kd = 36.7 uM | ACE GLN ALA ASP LEU PHE | n/a | n/a |
10 | 4K3L | ic50 = 1.1 mM | ACE LEU PHE | n/a | n/a |
11 | 4N9A | Ki = 64 uM | 2J2 | C13 H12 Cl N O2 | c1cc2c(cc1.... |
12 | 4K3K | ic50 = 4.44 mM | SFK | C15 H21 N O3 | CC(C)CCC(=.... |
13 | 3D1F | - | SER GLU GLN VAL GLU LEU GLU PHE ASP 323 | n/a | n/a |
14 | 4K3M | Kd = 281.2 uM | ALA LEU ASP LEU PHE | n/a | n/a |
15 | 4K3R | Kd = 259.1 uM | ACE GLN LEU ASP LEU ALA | n/a | n/a |
16 | 4K3Q | Kd = 115.1 uM | ACE GLN LEU ASP ALA PHE | n/a | n/a |
17 | 4K3P | Kd = 1.6 uM | ACE GLN LEU ALA LEU PHE | n/a | n/a |
18 | 4N99 | Ki = 216 uM | 2J1 | C13 H12 Cl N O2 | c1c2c(cc(c.... |
19 | 4MJP | Ki = 131 uM | 27O | C19 H22 O2 | C[C@H](c1c.... |
20 | 6FVL | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
21 | 4N96 | - | 6NI | C7 H5 N3 O2 | c1cc2cn[nH.... |
22 | 4N97 | - | 2HU | C8 H6 N2 O2 | c1cc2c(cc[.... |
23 | 4TSZ | Kd = 99 nM | ACE GLN ALC ASP LEU ZCL | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KW8 | 0.9444 |
2 | WUB | 0.9386 |
3 | KWH | 0.9268 |
4 | KWQ | 0.9254 |
5 | F2W | 0.9162 |
6 | GNV | 0.9152 |
7 | 5GV | 0.9137 |
8 | CNI | 0.9126 |
9 | MS0 | 0.9122 |
10 | 9KZ | 0.9075 |
11 | YZ9 | 0.9062 |
12 | H2B | 0.9062 |
13 | V2Z | 0.9062 |
14 | HBI | 0.9062 |
15 | JTA | 0.9059 |
16 | AH9 | 0.9056 |
17 | 5TZ | 0.9055 |
18 | BGU | 0.9047 |
19 | EAE | 0.9029 |
20 | BZJ | 0.9024 |
21 | DNQ | 0.9018 |
22 | ZSP | 0.8999 |
23 | 3N1 | 0.8982 |
24 | 49P | 0.8974 |
25 | 2LW | 0.8954 |
26 | RBV | 0.8953 |
27 | ST1 | 0.8952 |
28 | 6FB | 0.8948 |
29 | JVQ | 0.8933 |
30 | GNJ | 0.8932 |
31 | GF4 | 0.8932 |
32 | 8EQ | 0.8932 |
33 | HRM | 0.8906 |
34 | ZME | 0.8901 |
35 | VM1 | 0.8900 |
36 | AH3 | 0.8899 |
37 | 0LO | 0.8891 |
38 | XM5 | 0.8890 |
39 | JHY | 0.8881 |
40 | X0W | 0.8876 |
41 | GNY | 0.8876 |
42 | V1T | 0.8872 |
43 | H4B | 0.8871 |
44 | 6PB | 0.8871 |
45 | IQZ | 0.8867 |
46 | 9R5 | 0.8859 |
47 | 8RK | 0.8856 |
48 | LDC | 0.8854 |
49 | URI | 0.8848 |
50 | QMR | 0.8842 |
51 | 9CE | 0.8840 |
52 | NAG | 0.8837 |
53 | 7FF | 0.8836 |
54 | 78Y | 0.8833 |
55 | 5V7 | 0.8826 |
56 | 6ZW | 0.8825 |
57 | TT4 | 0.8825 |
58 | 344 | 0.8821 |
59 | NDG | 0.8819 |
60 | 1ZC | 0.8815 |
61 | 2B4 | 0.8810 |
62 | 8NX | 0.8809 |
63 | MMJ | 0.8806 |
64 | EV2 | 0.8803 |
65 | LEL | 0.8802 |
66 | 7AP | 0.8795 |
67 | 6HO | 0.8793 |
68 | VXX | 0.8793 |
69 | JP2 | 0.8791 |
70 | HBO | 0.8789 |
71 | GJP | 0.8788 |
72 | BQ2 | 0.8785 |
73 | JG8 | 0.8783 |
74 | GSY | 0.8781 |
75 | BIO | 0.8781 |
76 | LL1 | 0.8777 |
77 | P4L | 0.8776 |
78 | 2D2 | 0.8775 |
79 | ZEC | 0.8774 |
80 | CK2 | 0.8774 |
81 | 8NB | 0.8770 |
82 | 3QV | 0.8769 |
83 | GHM | 0.8768 |
84 | 28A | 0.8767 |
85 | XDE | 0.8762 |
86 | 2J1 | 0.8758 |
87 | 3D8 | 0.8755 |
88 | N0Z | 0.8750 |
89 | TIA | 0.8748 |
90 | JXZ | 0.8748 |
91 | ADN | 0.8739 |
92 | S98 | 0.8733 |
93 | DBS | 0.8732 |
94 | 1VK | 0.8731 |
95 | GNM | 0.8729 |
96 | 3C5 | 0.8726 |
97 | BPY | 0.8724 |
98 | S60 | 0.8724 |
99 | RKV | 0.8723 |
100 | DX1 | 0.8720 |
101 | 92O | 0.8718 |
102 | CSN | 0.8718 |
103 | H05 | 0.8717 |
104 | HHS | 0.8715 |
105 | LUM | 0.8714 |
106 | PRL | 0.8712 |
107 | 6X9 | 0.8712 |
108 | 795 | 0.8711 |
109 | L22 | 0.8710 |
110 | TXW | 0.8709 |
111 | X11 | 0.8704 |
112 | GZV | 0.8703 |
113 | JYT | 0.8699 |
114 | VKE | 0.8696 |
115 | 2K8 | 0.8695 |
116 | 3L1 | 0.8695 |
117 | DPT | 0.8694 |
118 | 1KP | 0.8691 |
119 | MXD | 0.8691 |
120 | 2WU | 0.8687 |
121 | 3Y7 | 0.8684 |
122 | PH2 | 0.8683 |
123 | 6QF | 0.8679 |
124 | 3ZB | 0.8676 |
125 | N88 | 0.8675 |
126 | 68A | 0.8674 |
127 | GC2 | 0.8664 |
128 | JY4 | 0.8663 |
129 | E1K | 0.8661 |
130 | 549 | 0.8655 |
131 | 3VW | 0.8654 |
132 | NNV | 0.8654 |
133 | YKG | 0.8653 |
134 | BZE | 0.8649 |
135 | TCR | 0.8649 |
136 | LP8 | 0.8637 |
137 | WS7 | 0.8630 |
138 | EN1 | 0.8630 |
139 | FQX | 0.8625 |
140 | S8A | 0.8621 |
141 | K7H | 0.8618 |
142 | LFQ | 0.8615 |
143 | GTV | 0.8614 |
144 | NRA | 0.8612 |
145 | GO1 | 0.8607 |
146 | ANC | 0.8607 |
147 | 3YQ | 0.8605 |
148 | CK1 | 0.8605 |
149 | 4V2 | 0.8605 |
150 | EGR | 0.8603 |
151 | BPU | 0.8599 |
152 | K44 | 0.8598 |
153 | TR4 | 0.8597 |
154 | 4I8 | 0.8597 |
155 | PUE | 0.8592 |
156 | 27B | 0.8592 |
157 | 5GT | 0.8590 |
158 | 6ME | 0.8587 |
159 | EVF | 0.8579 |
160 | ING | 0.8571 |
161 | 833 | 0.8568 |
162 | 6SD | 0.8565 |
163 | CLI | 0.8563 |
164 | E7R | 0.8562 |
165 | AVR | 0.8551 |
166 | PMP | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 4k3p.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |