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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 14 families. | |||||
1 | 6G0W | ic50 = 5.2 uM | EGW | C25 H23 F N2 O3 | c1cc(cc(c1.... |
2 | 3SMI | - | QDR | C12 H12 N6 O S | Cc1cccc2c1.... |
3 | 5LXP | ic50 = 0.76 uM | 7AG | C24 H28 N6 O3 | C[C@@H](Cn.... |
4 | 5LYH | ic50 = 0.49 uM | 7B8 | C24 H27 N7 O7 S | c1cc(cc(c1.... |
5 | 3SE2 | - | LDR | C13 H9 N O | c1ccc2c(c1.... |
6 | 6FYM | - | EBB | C15 H14 N4 O S | Cc1ccc2c(c.... |
7 | 5V7T | ic50 = 610 nM | 91V | C27 H32 N6 O | c1ccc(cc1).... |
8 | 3SMJ | - | FDR | C10 H10 N2 O S | CC1=Nc2c(c.... |
9 | 4F1L | - | 0RY | C11 H10 N2 O4 | c1cc(cc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 6QXU | ic50 = 7 nM | JKN | C17 H14 F2 N2 O2 | CC(C)(c1cc.... |
2 | 3UDD | - | 34M | C20 H19 N5 O3 S | Cc1nnc(n1c.... |
3 | 4W6E | ic50 < 0.003 uM | 3J5 | C27 H29 N5 O2 | Cc1cc(ncc1.... |
4 | 4MSK | ic50 = 0.063 uM | 2C8 | C25 H19 N5 O3 | c1ccc(cc1).... |
5 | 4OA7 | - | 2XS | C25 H19 N3 O3 | c1cc2cccnc.... |
6 | 4K4E | - | K4E | C22 H25 Cl N4 O3 | COc1ccc(cc.... |
7 | 4N4V | ic50 = 0.002 uM | 2GY | C26 H29 N5 O2 | CC1([C@@H].... |
8 | 5ECE | ic50 = 9 nM | 5N2 | C26 H22 N6 O2 | c1ccc2c(c1.... |
9 | 4TOR | - | IW8 | C25 H28 Br N3 O4 S | CCN(c1cccc.... |
10 | 3UH4 | ic50 = 0.011 uM | XAV | C14 H11 F3 N2 O S | c1cc(ccc1c.... |
11 | 4I9I | ic50 = 0.008 uM | 1DY | C25 H22 N4 O4 | COc1ccccc1.... |
12 | 4DVI | - | 2IW | C26 H21 N3 O3 | Cc1ccnc2c1.... |
13 | 4LI6 | - | 1XO | C23 H21 N3 O2 S | c1ccc(cc1).... |
14 | 4MSG | ic50 = 0.1 nM | 2C6 | C25 H25 N5 O3 S | c1ccc(cc1).... |
15 | 3UH2 | ic50 = 1 uM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
16 | 5EBT | - | 5N8 | C23 H17 F5 N6 O2 | C[C@H]1Cn2.... |
17 | 4MT9 | ic50 = 0.1 nM | 2D6 | C24 H24 N4 O3 S | c1ccc2c(c1.... |
18 | 4N4T | ic50 = 0.049 uM | 2GV | C26 H23 N5 O2 | CC1([C@@H].... |
19 | 4N3R | ic50 = 0.15 uM | 2GU | C26 H22 F N5 O2 | CC1(CC(=O).... |
20 | 4LI7 | - | 1XP | C23 H23 Cl F N3 O3 | COc1cc(c(c.... |
21 | 4KRS | ic50 = 0.299 uM | 1SX | C15 H18 N4 O S | CC(C)(C)c1.... |
22 | 4TOS | - | 355 | C33 H33 N5 O4 | CC1=CC=CC2.... |
23 | 4BUV | ic50 = 21 nM | 16I | C19 H13 N3 O2 S | c1ccc2c(c1.... |
24 | 4BJ9 | ic50 = 45 nM | UHB | C24 H27 N9 O6 | c1cc2c(c(c.... |
25 | 4BU3 | ic50 = 59 nM | F40 | C14 H10 N2 O | c1ccc(cc1).... |
26 | 3P0Q | - | NNL | C14 H14 Cl N5 | Cc1cc(c2nn.... |
27 | 4UFU | ic50 = 10 nM | 2ZI | C16 H11 F3 N2 O | Cc1cccc2c1.... |
28 | 4UVX | ic50 = 11 nM | H2W | C15 H9 Cl F N O | c1cc2c(c(c.... |
29 | 4UFY | ic50 = 7 nM | M3W | C16 H14 N2 O | Cc1ccc(cc1.... |
30 | 4BJC | ic50 = 14 nM | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
31 | 4UVZ | - | 5NN | C15 H12 N2 O | c1ccc(cc1).... |
32 | 5AEH | ic50 = 0.037 uM | 8IR | C25 H19 Cl N4 O3 | COc1ccc(cc.... |
33 | 4UVV | ic50 = 32 nM | W8L | C16 H12 Cl N O | Cc1cccc2c1.... |
34 | 5OWT | - | F37 | C18 H14 N4 O3 | C[C@@]1(C(.... |
35 | 4UHG | ic50 = 540 nM | SZ5 | C15 H12 N2 O | Cc1ccc(cc1.... |
36 | 4UVY | ic50 = 5.5 nM | SGW | C16 H12 Cl N O2 | COc1cccc2c.... |
37 | 5NUT | ic50 = 12 nM | 9A8 | C17 H16 N2 O2 | CC(C)Oc1cc.... |
38 | 4BU8 | ic50 = 28 nM | 27F | C15 H9 N3 O | c1ccc2c(c1.... |
39 | 4UVW | ic50 = 19 nM | NYJ | C17 H15 N O | Cc1cccc2c1.... |
40 | 5NOB | ic50 = 0.0063 uM | 92T | C24 H17 Cl N8 O | c1ccc(c(c1.... |
41 | 4BUX | ic50 = 34 nM | F35 | C18 H14 N4 O3 | c1ccc2c(c1.... |
42 | 4BJB | ic50 = 219 nM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
43 | 3P0N | - | BPU | C11 H7 Br N2 O | c1cc2n(c1).... |
44 | 3U9Y | - | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
45 | 5AL5 | ic50 = 71 nM | JL9 | C18 H23 N5 O | c1cnccc1CN.... |
46 | 4BUW | ic50 = 15 nM | F33 | C17 H13 N3 O3 | c1ccc2c(c1.... |
47 | 4UVT | - | G1O | C10 H10 N2 O | CC1=CNC(=O.... |
48 | 4BUE | ic50 = 71 nM | JQF | C19 H19 N3 O2 | CC(C)CC(=O.... |
49 | 5AL4 | ic50 = 300 nM | WLH | C13 H20 N4 O | CN1CCN(CC1.... |
50 | 4W5I | ic50 = 97 nM | 3GX | C15 H16 N2 O | CN1CCCC2=C.... |
51 | 4BUD | ic50 = 5 nM | 29F | C18 H18 N2 O | CC(C)(C)c1.... |
52 | 4BFP | - | SWY | C29 H23 N5 O3 S | COc1ccc(cc.... |
53 | 4UVU | ic50 = 1200 nM | U1T | C21 H22 N2 O | Cc1cccc2c1.... |
54 | 5AKW | ic50 = 410 nM | NKI | C14 H11 Cl N2 O | c1ccc2c(c1.... |
55 | 5AL2 | ic50 = 360 nM | O53 | C16 H17 N3 O | CC(C)c1ccc.... |
56 | 4BS4 | ic50 = 72 nM | A64 | C18 H16 O2 | CC(C)c1ccc.... |
57 | 5AL3 | ic50 = 11000 nM | TGW | C14 H11 Cl2 N3 O | CN1c2c(ccc.... |
58 | 4UVN | - | CDJ | C15 H11 Cl N2 O | c1cc2c(c(c.... |
59 | 4BUS | ic50 = 176 nM | 32F | C16 H12 N2 O4 | c1ccc2c(c1.... |
60 | 3KR8 | Kd = 8 nM | XAV | C14 H11 F3 N2 O S | c1cc(ccc1c.... |
61 | 4M7B | ic50 = 200 nM | 28C | C14 H15 N5 O | Cc1cc(c2nn.... |
62 | 5AL1 | ic50 = 53000 nM | GN5 | C17 H19 N3 O | CC(C)(C)c1.... |
63 | 4BUU | ic50 = 56 nM | F38 | C15 H13 N3 O3 S | c1ccc2c(c1.... |
64 | 4UVS | - | R4E | C14 H18 N2 O | CCCCCC1=Cc.... |
65 | 4BUY | ic50 = 5 nM | F37 | C18 H14 N4 O3 | C[C@@]1(C(.... |
66 | 4UVO | - | 5WW | C16 H14 N2 O2 | COc1ccc(cc.... |
67 | 4BU9 | ic50 = 9 nM | 08C | C15 H12 N2 O2 | COc1ccc(cc.... |
68 | 5OWS | - | KC8 | C18 H16 N4 O2 | C[C@@]1(CN.... |
69 | 3P0P | - | NNF | C15 H17 F N4 O | CC1=CC(=O).... |
70 | 4BU6 | ic50 = 73 nM | RGK | C14 H11 N3 O | c1ccc2c(c1.... |
71 | 3MHJ | - | M3F | C14 H9 F3 N2 O | Cc1cc(nc2c.... |
72 | 4UVL | - | 32X | C9 H8 N2 O | c1cc2c(c(c.... |
73 | 4BUF | ic50 = 38 nM | F36 | C16 H12 N2 O2 | CC(=O)c1cc.... |
74 | 5AKU | ic50 = 150 nM | 29F | C18 H18 N2 O | CC(C)(C)c1.... |
75 | 4BUA | ic50 = 35 nM | 91F | C15 H12 N2 O S | CSc1ccc(cc.... |
76 | 4BU5 | ic50 = 102 nM | 3F4 | C14 H10 N2 O2 | c1ccc2c(c1.... |
77 | 4UX4 | - | E9L | C16 H15 N2 O | Cc1ccc(cc1.... |
78 | 4BU7 | ic50 = 11 nM | 25F | C14 H9 Br N2 O | c1ccc2c(c1.... |
79 | 3U9H | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
80 | 3UA9 | - | IWR | C25 H19 N3 O3 | c1cc2cccnc.... |
81 | 4BUT | ic50 = 12 nM | 31F | C14 H11 N3 O3 S | c1ccc2c(c1.... |
82 | 4BUI | ic50 = 23 nM | W2E | C16 H12 N2 O3 | COC(=O)c1c.... |
83 | 3SE2 | - | LDR | C13 H9 N O | c1ccc2c(c1.... |
84 | 6FYM | - | EBB | C15 H14 N4 O S | Cc1ccc2c(c.... |
85 | 5V7T | ic50 = 610 nM | 91V | C27 H32 N6 O | c1ccc(cc1).... |
86 | 3SMJ | - | FDR | C10 H10 N2 O S | CC1=Nc2c(c.... |
87 | 4F1L | - | 0RY | C11 H10 N2 O4 | c1cc(cc(c1.... |
88 | 4J1Z | - | 495 | C8 H5 Cl N2 O | c1ccc2c(c1.... |
89 | 4J22 | Kd = 0.018 uM | AJ7 | C23 H24 Cl N3 O3 | CC1=CC(=O).... |
90 | 4J3L | Kd = 0.016 uM | AJ5 | C20 H19 Cl N2 O3 | CC1=CC(=O).... |
91 | 3MHK | - | P4L | C12 H11 N3 O S | c1ccnc(c1).... |
92 | 4J3M | ic50 = 0.021 uM | AJ8 | C17 H12 Cl N O3 | CC1=CC(=O).... |
93 | 4IUE | Kd = 0.28 uM | AJ4 | C16 H12 F N O | CC1=CC(=O).... |
94 | 4J21 | Kd = 0.039 uM | AJ6 | C16 H13 Cl N2 O | CC1=CC(=O).... |
95 | 3W51 | ic50 = 12 uM | AJ2 | C10 H9 N O | Cc1cc(nc2c.... |
96 | 6EK3 | - | OUL | C14 H12 N2 O3 | c1cc(ccc1C.... |
97 | 4F0E | - | 0RU | C14 H12 N4 O S | Cc1cccc2c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0RY | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KCH | 0.9640 |
2 | VAO | 0.9529 |
3 | XEV | 0.9513 |
4 | AV4 | 0.9415 |
5 | QKU | 0.9379 |
6 | EFX | 0.9363 |
7 | AUV | 0.9351 |
8 | AV7 | 0.9343 |
9 | L5D | 0.9321 |
10 | Q4G | 0.9320 |
11 | IQQ | 0.9312 |
12 | ELH | 0.9306 |
13 | VM7 | 0.9246 |
14 | 108 | 0.9224 |
15 | G30 | 0.9220 |
16 | ZYV | 0.9211 |
17 | 5ER | 0.9201 |
18 | II4 | 0.9192 |
19 | GZV | 0.9189 |
20 | NZ4 | 0.9188 |
21 | Q2S | 0.9182 |
22 | 4ZF | 0.9156 |
23 | RKY | 0.9148 |
24 | TIA | 0.9124 |
25 | 0FS | 0.9115 |
26 | 4UM | 0.9085 |
27 | M83 | 0.9080 |
28 | 4G2 | 0.9049 |
29 | Q92 | 0.9047 |
30 | 08C | 0.9028 |
31 | 2JP | 0.9025 |
32 | Q5M | 0.9010 |
33 | ZEA | 0.9006 |
34 | 9RM | 0.9005 |
35 | 1CE | 0.8993 |
36 | 5F8 | 0.8992 |
37 | TVC | 0.8991 |
38 | 1AJ | 0.8984 |
39 | QUB | 0.8974 |
40 | 0DJ | 0.8973 |
41 | UKV | 0.8964 |
42 | 78P | 0.8961 |
43 | LLT | 0.8958 |
44 | PW8 | 0.8956 |
45 | LIT | 0.8955 |
46 | 28A | 0.8953 |
47 | H35 | 0.8952 |
48 | NIR | 0.8948 |
49 | 1ZC | 0.8939 |
50 | CG | 0.8938 |
51 | NNR | 0.8933 |
52 | D87 | 0.8933 |
53 | 57U | 0.8930 |
54 | 5TZ | 0.8930 |
55 | 0LO | 0.8928 |
56 | LI7 | 0.8926 |
57 | KWV | 0.8926 |
58 | JCQ | 0.8910 |
59 | RK4 | 0.8901 |
60 | 120 | 0.8899 |
61 | BXZ | 0.8899 |
62 | CMG | 0.8896 |
63 | 802 | 0.8890 |
64 | SNP | 0.8888 |
65 | M01 | 0.8888 |
66 | BXS | 0.8883 |
67 | 8M5 | 0.8883 |
68 | ZME | 0.8878 |
69 | 97K | 0.8875 |
70 | C0V | 0.8874 |
71 | N5B | 0.8873 |
72 | 9CE | 0.8872 |
73 | RNP | 0.8872 |
74 | 5VU | 0.8865 |
75 | JVD | 0.8865 |
76 | 6DH | 0.8858 |
77 | C4E | 0.8858 |
78 | 5FL | 0.8855 |
79 | 0FR | 0.8853 |
80 | SOV | 0.8851 |
81 | HHV | 0.8851 |
82 | HCC | 0.8849 |
83 | 1Q1 | 0.8834 |
84 | FSU | 0.8829 |
85 | DBF | 0.8829 |
86 | 1ER | 0.8828 |
87 | FC2 | 0.8825 |
88 | 00G | 0.8824 |
89 | WG8 | 0.8822 |
90 | 1XS | 0.8821 |
91 | BMZ | 0.8815 |
92 | 7G2 | 0.8815 |
93 | 2QV | 0.8810 |
94 | RGK | 0.8800 |
95 | EEY | 0.8798 |
96 | 3D8 | 0.8798 |
97 | FTK | 0.8796 |
98 | 4CN | 0.8794 |
99 | 2LW | 0.8793 |
100 | L2K | 0.8792 |
101 | JCZ | 0.8792 |
102 | PZX | 0.8792 |
103 | 8G6 | 0.8792 |
104 | WVV | 0.8791 |
105 | CX4 | 0.8791 |
106 | JSX | 0.8788 |
107 | B21 | 0.8786 |
108 | 536 | 0.8786 |
109 | 55D | 0.8782 |
110 | SZ5 | 0.8779 |
111 | S2X | 0.8770 |
112 | FLF | 0.8767 |
113 | 6PB | 0.8767 |
114 | 4GU | 0.8764 |
115 | C0H | 0.8762 |
116 | 1HP | 0.8761 |
117 | EEK | 0.8757 |
118 | BZC | 0.8752 |
119 | 43U | 0.8750 |
120 | D80 | 0.8748 |
121 | B98 | 0.8748 |
122 | 0V7 | 0.8745 |
123 | 6EN | 0.8744 |
124 | C0E | 0.8744 |
125 | 27M | 0.8742 |
126 | BSV | 0.8742 |
127 | PW5 | 0.8741 |
128 | T28 | 0.8741 |
129 | NIY | 0.8738 |
130 | HAN | 0.8738 |
131 | 34L | 0.8737 |
132 | NFZ | 0.8735 |
133 | 3NM | 0.8734 |
134 | 833 | 0.8733 |
135 | HA6 | 0.8732 |
136 | 9ME | 0.8730 |
137 | C1E | 0.8729 |
138 | 531 | 0.8729 |
139 | EVO | 0.8728 |
140 | ID8 | 0.8727 |
141 | FHV | 0.8727 |
142 | ZEZ | 0.8727 |
143 | BTQ | 0.8727 |
144 | 3F4 | 0.8726 |
145 | 0LA | 0.8725 |
146 | 581 | 0.8723 |
147 | 1HR | 0.8722 |
148 | 1UA | 0.8719 |
149 | 0QV | 0.8718 |
150 | 7EH | 0.8718 |
151 | 49P | 0.8715 |
152 | SQM | 0.8714 |
153 | NQ7 | 0.8713 |
154 | 122 | 0.8710 |
155 | M02 | 0.8710 |
156 | L22 | 0.8707 |
157 | WUB | 0.8706 |
158 | 25F | 0.8705 |
159 | U4J | 0.8704 |
160 | P4T | 0.8701 |
161 | KYN | 0.8699 |
162 | QR2 | 0.8698 |
163 | 43S | 0.8697 |
164 | 41L | 0.8697 |
165 | 6U5 | 0.8695 |
166 | 5P3 | 0.8695 |
167 | KU1 | 0.8693 |
168 | BNY | 0.8692 |
169 | UN9 | 0.8691 |
170 | NPX | 0.8690 |
171 | HBI | 0.8690 |
172 | LL1 | 0.8690 |
173 | IMI | 0.8685 |
174 | OAQ | 0.8685 |
175 | 5WS | 0.8682 |
176 | LVB | 0.8678 |
177 | LDC | 0.8674 |
178 | VM1 | 0.8673 |
179 | JWS | 0.8672 |
180 | H7S | 0.8670 |
181 | F40 | 0.8664 |
182 | 5B2 | 0.8662 |
183 | DUL | 0.8662 |
184 | E9S | 0.8659 |
185 | 2QU | 0.8659 |
186 | 0HY | 0.8655 |
187 | 103 | 0.8654 |
188 | 272 | 0.8650 |
189 | 6DQ | 0.8650 |
190 | TIZ | 0.8647 |
191 | 5S9 | 0.8646 |
192 | DXK | 0.8645 |
193 | 92O | 0.8644 |
194 | S7S | 0.8642 |
195 | MUX | 0.8641 |
196 | 3CA | 0.8641 |
197 | 0K7 | 0.8640 |
198 | 3C5 | 0.8640 |
199 | TLF | 0.8634 |
200 | 2UD | 0.8630 |
201 | PIQ | 0.8627 |
202 | 7L9 | 0.8622 |
203 | 69W | 0.8620 |
204 | HO6 | 0.8619 |
205 | XEZ | 0.8610 |
206 | FZ6 | 0.8607 |
207 | HPZ | 0.8606 |
208 | OA1 | 0.8602 |
209 | 3Q0 | 0.8602 |
210 | SU9 | 0.8601 |
211 | OLU | 0.8600 |
212 | 7VY | 0.8599 |
213 | 205 | 0.8598 |
214 | 5P7 | 0.8596 |
215 | D8I | 0.8595 |
216 | QNM | 0.8591 |
217 | IJ4 | 0.8591 |
218 | JFS | 0.8591 |
219 | 47V | 0.8588 |
220 | FCW | 0.8587 |
221 | 5TQ | 0.8583 |
222 | AH3 | 0.8582 |
223 | 2P3 | 0.8578 |
224 | LEL | 0.8571 |
225 | 2JX | 0.8566 |
226 | TCW | 0.8561 |
227 | AVX | 0.8553 |
228 | EAE | 0.8549 |
229 | LFK | 0.8549 |
230 | 6ZW | 0.8546 |
231 | FCD | 0.8539 |
232 | EQU | 0.8537 |
233 | PRO GLY ALA | 0.8537 |
234 | D1G | 0.8530 |
235 | H70 | 0.8529 |
236 | G14 | 0.8528 |
237 | 5M2 | 0.8526 |
238 | S7D | 0.8524 |
239 | 7SB | 0.8523 |
240 | YE7 | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 5lyh.bio2) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 21.7617 |
This union binding pocket(no: 2) in the query (biounit: 5lyh.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 21.7617 |
2 | 6W65 | T9D | 21.7617 |