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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 21 families. | |||||
1 | 2XJ7 | Kd = 246 nM | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
2 | 2WZH | - | NGO | C8 H14 N O5 | CC1=[NH+][.... |
3 | 4AIU | - | GC3 | C8 H13 N O6 | C([C@@H]1[.... |
4 | 2VVS | Ki = 46 nM | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
5 | 2W66 | Ki = 89 uM | HQ6 | C9 H18 N2 O5 | CC(=O)N[C@.... |
6 | 2X0H | - | 14T | C14 H15 F4 N O6 | c1cc(c(cc1.... |
7 | 5ABG | Ki = 9 nM | V0N | C17 H25 F N2 O4 | CNC(=O)C[C.... |
8 | 4AIS | - | GOA | C2 H4 O3 | C(C(=O)O)O |
9 | 2XM1 | Kd = 8.5 uM | LTM | C8 H14 N2 O5 | CC(=O)N[C@.... |
10 | 2W4X | Kd = 14 uM | STZ | C8 H15 N3 O7 | CN(C(=O)N[.... |
11 | 4UR9 | Kd = 3.1 mM | BK9 | C10 H10 N2 O | CCOc1c2ccc.... |
12 | 2WCA | - | NP6 | C17 H23 N3 O7 | CCCC(=O)N[.... |
13 | 2VVN | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
14 | 5ABE | Ki = 890 uM | XQO | C13 H26 N2 O4 | CCCCCN1[C@.... |
15 | 2J4G | Ki = 0.25 uM | NB1 | C10 H17 N O4 S | CCCC1=N[C@.... |
16 | 5MI7 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
17 | 5MI5 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
18 | 2WZI | - | 5FN | C8 H12 F N O5 | CC1=N[C@@H.... |
19 | 2JIW | - | BEU | C9 H16 N2 O4 | CC(=O)N[C@.... |
20 | 2W67 | Ki = 11 uM | F34 | C8 H16 N2 O4 | CC(=O)N[C@.... |
21 | 5ABH | Ki = 1.7 nM | YWN | C13 H26 N2 O4 | CCCCCN1[C@.... |
22 | 2XM2 | Ki = 24 uM | LOG | C8 H14 N2 O6 | CC(=O)N[C@.... |
23 | 5MI6 | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
24 | 2J47 | Ki = 3.9 uM | GDV | C17 H21 N4 O5 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 16 families. | |||||
1 | 2XJ7 | Kd = 246 nM | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
2 | 2WZH | - | NGO | C8 H14 N O5 | CC1=[NH+][.... |
3 | 4AIU | - | GC3 | C8 H13 N O6 | C([C@@H]1[.... |
4 | 2VVS | Ki = 46 nM | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
5 | 2W66 | Ki = 89 uM | HQ6 | C9 H18 N2 O5 | CC(=O)N[C@.... |
6 | 2X0H | - | 14T | C14 H15 F4 N O6 | c1cc(c(cc1.... |
7 | 5ABG | Ki = 9 nM | V0N | C17 H25 F N2 O4 | CNC(=O)C[C.... |
8 | 4AIS | - | GOA | C2 H4 O3 | C(C(=O)O)O |
9 | 2XM1 | Kd = 8.5 uM | LTM | C8 H14 N2 O5 | CC(=O)N[C@.... |
10 | 2W4X | Kd = 14 uM | STZ | C8 H15 N3 O7 | CN(C(=O)N[.... |
11 | 4UR9 | Kd = 3.1 mM | BK9 | C10 H10 N2 O | CCOc1c2ccc.... |
12 | 2WCA | - | NP6 | C17 H23 N3 O7 | CCCC(=O)N[.... |
13 | 2VVN | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
14 | 5ABE | Ki = 890 uM | XQO | C13 H26 N2 O4 | CCCCCN1[C@.... |
15 | 2J4G | Ki = 0.25 uM | NB1 | C10 H17 N O4 S | CCCC1=N[C@.... |
16 | 5MI7 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
17 | 5MI5 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
18 | 2WZI | - | 5FN | C8 H12 F N O5 | CC1=N[C@@H.... |
19 | 2JIW | - | BEU | C9 H16 N2 O4 | CC(=O)N[C@.... |
20 | 2W67 | Ki = 11 uM | F34 | C8 H16 N2 O4 | CC(=O)N[C@.... |
21 | 5ABH | Ki = 1.7 nM | YWN | C13 H26 N2 O4 | CCCCCN1[C@.... |
22 | 2XM2 | Ki = 24 uM | LOG | C8 H14 N2 O6 | CC(=O)N[C@.... |
23 | 5MI6 | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
24 | 2J47 | Ki = 3.9 uM | GDV | C17 H21 N4 O5 | CC(=O)N[C@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 57O | 0.9501 |
2 | NDG | 0.9439 |
3 | BEU | 0.9429 |
4 | NAG | 0.9422 |
5 | LTM | 0.9407 |
6 | GDL | 0.9356 |
7 | HQ6 | 0.9276 |
8 | A2G | 0.9266 |
9 | 9KH | 0.9262 |
10 | 327 | 0.9221 |
11 | 289 | 0.9180 |
12 | LOG | 0.9173 |
13 | CIP | 0.9158 |
14 | TNX | 0.9152 |
15 | GC2 | 0.9149 |
16 | NGA | 0.9145 |
17 | MAN | 0.9143 |
18 | NGW | 0.9132 |
19 | NGT | 0.9132 |
20 | IFG | 0.9108 |
21 | 15N | 0.9107 |
22 | KG1 | 0.9102 |
23 | GCU | 0.9091 |
24 | BGC | 0.9065 |
25 | NGO | 0.9063 |
26 | LGC | 0.9061 |
27 | BM3 | 0.9050 |
28 | 9PY | 0.9050 |
29 | BMA | 0.9045 |
30 | 2CL | 0.9039 |
31 | P7Y | 0.9036 |
32 | 293 | 0.9032 |
33 | GCB | 0.9029 |
34 | G6P | 0.9024 |
35 | LYL | 0.9008 |
36 | NBG | 0.9006 |
37 | GLC | 0.9004 |
38 | BBK | 0.9001 |
39 | NOJ | 0.8991 |
40 | K3Q | 0.8986 |
41 | NLA | 0.8977 |
42 | AFR | 0.8973 |
43 | IBM | 0.8968 |
44 | F5C | 0.8968 |
45 | KBG | 0.8964 |
46 | EMZ | 0.8962 |
47 | GC3 | 0.8960 |
48 | MNM | 0.8960 |
49 | 2FG | 0.8958 |
50 | 61M | 0.8958 |
51 | 948 | 0.8957 |
52 | GAL | 0.8956 |
53 | DMJ | 0.8955 |
54 | HPT | 0.8951 |
55 | PLP | 0.8947 |
56 | X04 | 0.8946 |
57 | IAC | 0.8941 |
58 | 149 | 0.8941 |
59 | 6FZ | 0.8938 |
60 | OMD | 0.8924 |
61 | STT | 0.8922 |
62 | 15L | 0.8920 |
63 | GLA | 0.8918 |
64 | NVU | 0.8915 |
65 | M6P | 0.8915 |
66 | ASO | 0.8914 |
67 | IOS | 0.8913 |
68 | EPR | 0.8912 |
69 | 3RI | 0.8907 |
70 | 5FN | 0.8904 |
71 | IFL | 0.8903 |
72 | BDF | 0.8903 |
73 | XYH | 0.8898 |
74 | ICB | 0.8893 |
75 | PA1 | 0.8892 |
76 | LCN | 0.8891 |
77 | TAG | 0.8891 |
78 | CLU | 0.8881 |
79 | PMP | 0.8880 |
80 | TL6 | 0.8880 |
81 | BG6 | 0.8878 |
82 | F06 | 0.8877 |
83 | 6DP | 0.8875 |
84 | GNL | 0.8872 |
85 | FWD | 0.8867 |
86 | SOE | 0.8867 |
87 | KTA | 0.8865 |
88 | MQB | 0.8863 |
89 | TFU | 0.8860 |
90 | TLM | 0.8858 |
91 | 5OF | 0.8858 |
92 | 94B | 0.8851 |
93 | X1P | 0.8846 |
94 | G3F | 0.8839 |
95 | HHT | 0.8839 |
96 | S3C | 0.8839 |
97 | QIC | 0.8835 |
98 | S24 | 0.8834 |
99 | MAG | 0.8833 |
100 | QM1 | 0.8831 |
101 | BNX | 0.8829 |
102 | TSR | 0.8826 |
103 | 6HP | 0.8820 |
104 | PRZ | 0.8813 |
105 | R2P | 0.8811 |
106 | GZL | 0.8810 |
107 | NFM | 0.8809 |
108 | MIG | 0.8808 |
109 | HWD | 0.8807 |
110 | G2F | 0.8807 |
111 | GZQ | 0.8806 |
112 | HQ9 | 0.8796 |
113 | ZON | 0.8795 |
114 | 3LJ | 0.8792 |
115 | NOY | 0.8790 |
116 | RAT | 0.8789 |
117 | ZZZ | 0.8785 |
118 | GLP | 0.8785 |
119 | GLF | 0.8784 |
120 | JWB | 0.8784 |
121 | CBF | 0.8782 |
122 | 0LH | 0.8775 |
123 | MP5 | 0.8773 |
124 | CWD | 0.8769 |
125 | NCV | 0.8768 |
126 | ZPF | 0.8767 |
127 | B0D | 0.8766 |
128 | R9S | 0.8766 |
129 | NSG | 0.8764 |
130 | 8S0 | 0.8763 |
131 | 67Y | 0.8757 |
132 | 7A2 | 0.8752 |
133 | LKA | 0.8752 |
134 | 0JD | 0.8745 |
135 | SLC | 0.8745 |
136 | H62 | 0.8739 |
137 | GLT | 0.8738 |
138 | L21 | 0.8737 |
139 | IOP | 0.8728 |
140 | HA5 | 0.8728 |
141 | 7QS | 0.8726 |
142 | DHS | 0.8724 |
143 | GPM | 0.8718 |
144 | PYU | 0.8718 |
145 | 9FQ | 0.8715 |
146 | QMS | 0.8715 |
147 | KP6 | 0.8713 |
148 | GLG | 0.8713 |
149 | FRU | 0.8711 |
150 | 94E | 0.8709 |
151 | CIT | 0.8708 |
152 | GLO | 0.8707 |
153 | 92K | 0.8705 |
154 | 2L3 | 0.8698 |
155 | 15A | 0.8698 |
156 | YO5 | 0.8697 |
157 | AMQ | 0.8696 |
158 | G1P | 0.8696 |
159 | SBK | 0.8695 |
160 | JZ4 | 0.8691 |
161 | 23J | 0.8691 |
162 | SFU | 0.8688 |
163 | OHP | 0.8686 |
164 | BWD | 0.8686 |
165 | AM1 | 0.8680 |
166 | BCU | 0.8679 |
167 | 790 | 0.8678 |
168 | ASC | 0.8671 |
169 | ISD | 0.8665 |
170 | M3S | 0.8662 |
171 | MFU | 0.8655 |
172 | FA6 | 0.8653 |
173 | IT9 | 0.8649 |
174 | GTC | 0.8648 |
175 | NZ9 | 0.8647 |
176 | FLC | 0.8647 |
177 | DTR | 0.8643 |
178 | 261 | 0.8635 |
179 | 2LB | 0.8620 |
180 | GF1 | 0.8620 |
181 | H6B | 0.8619 |
182 | W81 | 0.8617 |
183 | CTS | 0.8614 |
184 | ARW | 0.8604 |
185 | 7A8 | 0.8596 |
186 | NBV | 0.8596 |
187 | SDD | 0.8585 |
188 | S3B | 0.8580 |
189 | ARP | 0.8577 |
190 | NHT | 0.8576 |
191 | ABF | 0.8576 |
192 | 9BF | 0.8567 |
193 | GT0 | 0.8559 |
194 | CPW | 0.8555 |
195 | K2P | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 5abh.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |