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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 3 families. | |||||
1 | 1TG2 | - | H2B | C9 H13 N5 O3 | C[C@@H]([C.... |
2 | 1J8U | - | H4B | C9 H15 N5 O3 | C[C@@H]([C.... |
3 | 1MMT | - | H4B | C9 H15 N5 O3 | C[C@@H]([C.... |
4 | 1LRM | - | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
5 | 1DMW | - | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
6 | 1KW0 | - | H4B | C9 H15 N5 O3 | C[C@@H]([C.... |
7 | 6PAH | - | DAH | C9 H11 N O4 | c1cc(c(cc1.... |
8 | 1MMK | - | H4B | C9 H15 N5 O3 | C[C@@H]([C.... |
9 | 5PAH | - | LDP | C8 H11 N O2 | c1cc(c(cc1.... |
10 | 4ANP | Ki = 200 uM | 3QI | C14 H13 N3 O S2 | Cc1ccnc(c1.... |
11 | 3PAH | - | XDE | C9 H13 N O3 | CNC[C@H](c.... |
12 | 4PAH | - | LNR | C8 H11 N O3 | c1cc(c(cc1.... |
13 | 3HF6 | ic50 = 0.026 uM | LX0 | C24 H24 N6 O2 | C[C@H](c1c.... |
14 | 5TPG | ic50 = 14 nM | 7H5 | C28 H29 Cl F3 N5 O5 S | CS(=O)(=O).... |
15 | 3HF8 | Ki = 0.31 uM | ML0 | C27 H22 F4 N4 O3 | c1cc(cc(c1.... |
16 | 3HFB | Ki = 0.03 uM | ML4 | C27 H26 N4 O2 | Cc1ccccc1c.... |
17 | 5J6D | ic50 = 6 nM | 6H5 | C30 H35 N5 O5 | [H]/N=C(/N.... |
18 | 1MLW | - | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
19 | 2TOH | Ki = 70 uM | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1TG2 | - | H2B | C9 H13 N5 O3 | C[C@@H]([C.... |
2 | 1J8U | - | H4B | C9 H15 N5 O3 | C[C@@H]([C.... |
3 | 1MMT | - | H4B | C9 H15 N5 O3 | C[C@@H]([C.... |
4 | 1LRM | - | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
5 | 1DMW | - | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
6 | 1KW0 | - | H4B | C9 H15 N5 O3 | C[C@@H]([C.... |
7 | 6PAH | - | DAH | C9 H11 N O4 | c1cc(c(cc1.... |
8 | 1MMK | - | H4B | C9 H15 N5 O3 | C[C@@H]([C.... |
9 | 5PAH | - | LDP | C8 H11 N O2 | c1cc(c(cc1.... |
10 | 4ANP | Ki = 200 uM | 3QI | C14 H13 N3 O S2 | Cc1ccnc(c1.... |
11 | 3PAH | - | XDE | C9 H13 N O3 | CNC[C@H](c.... |
12 | 4PAH | - | LNR | C8 H11 N O3 | c1cc(c(cc1.... |
13 | 3HF6 | ic50 = 0.026 uM | LX0 | C24 H24 N6 O2 | C[C@H](c1c.... |
14 | 5TPG | ic50 = 14 nM | 7H5 | C28 H29 Cl F3 N5 O5 S | CS(=O)(=O).... |
15 | 3HF8 | Ki = 0.31 uM | ML0 | C27 H22 F4 N4 O3 | c1cc(cc(c1.... |
16 | 3HFB | Ki = 0.03 uM | ML4 | C27 H26 N4 O2 | Cc1ccccc1c.... |
17 | 5J6D | ic50 = 6 nM | 6H5 | C30 H35 N5 O5 | [H]/N=C(/N.... |
18 | 1MLW | - | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
19 | 5L01 | ic50 = 33 nM | 6Z4 | C27 H27 Cl F3 N5 O3 | c1ccc(cc1).... |
20 | 2TOH | Ki = 70 uM | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3QI | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AUE | 0.9410 |
2 | AUG | 0.9403 |
3 | 0OK | 0.9299 |
4 | PZ8 | 0.9284 |
5 | CU8 | 0.9249 |
6 | DX2 | 0.9244 |
7 | NYJ | 0.9230 |
8 | 6QT | 0.9215 |
9 | EV2 | 0.9183 |
10 | 0DF | 0.9173 |
11 | OA4 | 0.9153 |
12 | 9KZ | 0.9150 |
13 | LP8 | 0.9149 |
14 | Y70 | 0.9142 |
15 | 6JO | 0.9135 |
16 | 7EH | 0.9131 |
17 | B2X | 0.9116 |
18 | JOB | 0.9097 |
19 | 47X | 0.9097 |
20 | FCW | 0.9083 |
21 | FL8 | 0.9079 |
22 | KXN | 0.9074 |
23 | KP2 | 0.9073 |
24 | CC6 | 0.9047 |
25 | 4CN | 0.9038 |
26 | B2L | 0.9034 |
27 | 3RP | 0.9033 |
28 | EF2 | 0.9029 |
29 | GEN | 0.9025 |
30 | LZJ | 0.9017 |
31 | DQH | 0.9013 |
32 | 7L4 | 0.9003 |
33 | 789 | 0.8997 |
34 | QUE | 0.8995 |
35 | 3WL | 0.8987 |
36 | F4U | 0.8986 |
37 | DH2 | 0.8982 |
38 | F40 | 0.8975 |
39 | Q4G | 0.8971 |
40 | E6Q | 0.8971 |
41 | 22T | 0.8965 |
42 | 6XC | 0.8961 |
43 | 7M5 | 0.8959 |
44 | 6DQ | 0.8957 |
45 | LWS | 0.8956 |
46 | SNB | 0.8954 |
47 | 2JX | 0.8953 |
48 | JOH | 0.8952 |
49 | LVY | 0.8951 |
50 | 4RV | 0.8949 |
51 | D64 | 0.8945 |
52 | 4L2 | 0.8941 |
53 | CUH | 0.8939 |
54 | 2QU | 0.8939 |
55 | TC8 | 0.8939 |
56 | 3DE | 0.8930 |
57 | 15Q | 0.8928 |
58 | KMP | 0.8928 |
59 | 3JC | 0.8928 |
60 | 1Q4 | 0.8923 |
61 | NPS | 0.8923 |
62 | KW7 | 0.8920 |
63 | AP6 | 0.8919 |
64 | 4NR | 0.8914 |
65 | YZ9 | 0.8911 |
66 | Q19 | 0.8909 |
67 | 6EL | 0.8908 |
68 | JO5 | 0.8908 |
69 | Y0V | 0.8906 |
70 | 3UG | 0.8905 |
71 | L3L | 0.8904 |
72 | XEV | 0.8904 |
73 | 57D | 0.8898 |
74 | AJ4 | 0.8895 |
75 | LU2 | 0.8891 |
76 | RFZ | 0.8885 |
77 | Q8D | 0.8884 |
78 | IQW | 0.8879 |
79 | Q8G | 0.8877 |
80 | TGW | 0.8874 |
81 | ADL | 0.8868 |
82 | S0G | 0.8867 |
83 | FX5 | 0.8866 |
84 | 6JM | 0.8865 |
85 | KWB | 0.8862 |
86 | OUA | 0.8854 |
87 | K48 | 0.8842 |
88 | J84 | 0.8838 |
89 | AVX | 0.8837 |
90 | MYC | 0.8836 |
91 | MIL | 0.8834 |
92 | 40N | 0.8832 |
93 | AGI | 0.8831 |
94 | AWE | 0.8828 |
95 | PNX | 0.8821 |
96 | JHY | 0.8821 |
97 | LFQ | 0.8819 |
98 | RVE | 0.8817 |
99 | 2P3 | 0.8816 |
100 | 3WJ | 0.8812 |
101 | 5NN | 0.8810 |
102 | ADN | 0.8806 |
103 | L1T | 0.8804 |
104 | 3GX | 0.8804 |
105 | 2FA | 0.8801 |
106 | Q9G | 0.8800 |
107 | EXX | 0.8799 |
108 | DX7 | 0.8799 |
109 | CUQ | 0.8798 |
110 | 4EU | 0.8797 |
111 | XG1 | 0.8796 |
112 | D87 | 0.8795 |
113 | BXZ | 0.8794 |
114 | TI7 | 0.8787 |
115 | 0SX | 0.8786 |
116 | BHS | 0.8783 |
117 | L6Y | 0.8779 |
118 | 5AD | 0.8779 |
119 | 5NB | 0.8778 |
120 | 4YE | 0.8773 |
121 | ARJ | 0.8771 |
122 | WCU | 0.8771 |
123 | 3D1 | 0.8765 |
124 | OAL | 0.8764 |
125 | H7S | 0.8764 |
126 | 0UL | 0.8763 |
127 | AD3 | 0.8761 |
128 | NWD | 0.8759 |
129 | 7EL | 0.8756 |
130 | 7VF | 0.8755 |
131 | 3RH | 0.8755 |
132 | 5SB | 0.8753 |
133 | H4B | 0.8750 |
134 | 1CE | 0.8748 |
135 | 6DE | 0.8747 |
136 | NVS | 0.8739 |
137 | 51Y | 0.8738 |
138 | HBI | 0.8738 |
139 | Z17 | 0.8738 |
140 | NPX | 0.8737 |
141 | 8RK | 0.8735 |
142 | 22L | 0.8731 |
143 | NOC | 0.8731 |
144 | 1GM | 0.8731 |
145 | O9Q | 0.8730 |
146 | 5V7 | 0.8730 |
147 | J8G | 0.8729 |
148 | C09 | 0.8726 |
149 | B52 | 0.8726 |
150 | AUV | 0.8726 |
151 | GW3 | 0.8722 |
152 | XYP XYP | 0.8721 |
153 | XIF XYP | 0.8720 |
154 | 9FH | 0.8719 |
155 | 5E5 | 0.8718 |
156 | AU8 | 0.8717 |
157 | H2B | 0.8715 |
158 | Q0K | 0.8713 |
159 | 92O | 0.8712 |
160 | 5F1 | 0.8708 |
161 | 108 | 0.8707 |
162 | 4AB | 0.8707 |
163 | GMP | 0.8688 |
164 | L07 | 0.8685 |
165 | X0T | 0.8684 |
166 | MQU | 0.8684 |
167 | DFL | 0.8681 |
168 | BIO | 0.8679 |
169 | KOM | 0.8676 |
170 | 0J4 | 0.8674 |
171 | TCR | 0.8671 |
172 | 7ZO | 0.8670 |
173 | 8EQ | 0.8670 |
174 | 5XK | 0.8668 |
175 | 0J2 | 0.8667 |
176 | DBS | 0.8666 |
177 | 26A | 0.8660 |
178 | 8HG | 0.8656 |
179 | Q12 | 0.8656 |
180 | 4YF | 0.8655 |
181 | XYP XIF | 0.8652 |
182 | 361 | 0.8651 |
183 | 0GA | 0.8644 |
184 | FT6 | 0.8642 |
185 | NOS | 0.8640 |
186 | MTP | 0.8640 |
187 | 7DE | 0.8640 |
188 | CHV | 0.8639 |
189 | 9H2 | 0.8639 |
190 | 5FD | 0.8636 |
191 | 0LA | 0.8633 |
192 | NAL | 0.8633 |
193 | CC5 | 0.8630 |
194 | MG7 | 0.8630 |
195 | 96Z | 0.8624 |
196 | 2GE | 0.8621 |
197 | 27M | 0.8620 |
198 | AVA | 0.8617 |
199 | XYP XDN | 0.8614 |
200 | GNV | 0.8614 |
201 | CWE | 0.8613 |
202 | 5CD | 0.8611 |
203 | GNY | 0.8605 |
204 | 1HR | 0.8604 |
205 | 3AD | 0.8603 |
206 | DTQ | 0.8598 |
207 | DDC | 0.8591 |
208 | DFV | 0.8591 |
209 | SER DNF | 0.8586 |
210 | 89J | 0.8583 |
211 | RPP | 0.8582 |
212 | TRP | 0.8581 |
213 | 5N5 | 0.8579 |
214 | BA5 | 0.8576 |
215 | XDN XYP | 0.8575 |
216 | X29 | 0.8563 |
217 | PV1 | 0.8558 |
218 | XDL XYP | 0.8556 |
219 | 5ID | 0.8547 |
This union binding pocket(no: 1) in the query (biounit: 4anp.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |