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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 209 families. | |||||
1 | 4O3B | Ki = 0.82 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
2 | 5CBS | Kd = 3.9 uM | E42 | C15 H15 N O3 | c1cc(cc(c1.... |
3 | 3PD8 | Ki = 108 nM | HA7 | C7 H8 N2 O4 | C1CN[C@@H].... |
4 | 1P1O | Kd = 1.74 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
5 | 1MQH | ic50 = 0.3 uM | BWD | C7 H8 Br N3 O4 | C1=C(C(=O).... |
6 | 1FTK | ic50 = 14.5 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
7 | 3TKD | - | CYZ | C14 H16 Cl N3 O4 S2 | c1c2c(cc(c.... |
8 | 1M5F | ic50 = 14.8 nM | AM1 | C8 H10 N2 O5 | Cc1c(c(no1.... |
9 | 5FTI | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
10 | 1XHY | Ki = 624 nM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
11 | 1M5C | ic50 = 0.5 uM | BRH | C6 H7 Br N2 O4 | C(c1c(c(no.... |
12 | 1SYI | Ki = 3330 nM | CPW | C10 H13 N3 O4 | C1CC2=C(C1.... |
13 | 5O9A | - | 7M6 | C9 H10 Cl F N2 O2 S | c1cc2c(cc1.... |
14 | 1MY3 | - | BWD | C7 H8 Br N3 O4 | C1=C(C(=O).... |
15 | 3ILU | - | HFZ | C8 H8 F3 N3 O4 S2 | c1c(c(cc2c.... |
16 | 3PMV | - | 557 | C17 H22 F3 N3 O3 S | C[C@H](CNS.... |
17 | 5H8S | - | 5YC | C15 H16 N4 O S | CCN(CC1=CC.... |
18 | 2XHD | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
19 | 3B7D | - | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
20 | 4U1Z | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
21 | 1WVJ | Ki = 185 nM | IBC | C11 H14 N2 O4 | C1CC=C(c2c.... |
22 | 1P1U | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
23 | 4Q30 | - | NWD | C7 H8 N4 O6 | C1=C(C(=O).... |
24 | 4U23 | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
25 | 1MQG | ic50 = 0.52 uM | IWD | C7 H8 I N3 O4 | C1=C(C(=O).... |
26 | 3BBR | - | BHY | C20 H28 N2 O4 S2 | C[C@@H](CN.... |
27 | 3LSF | - | PZI | C6 H10 N2 O2 | C1CC(=O)N(.... |
28 | 3PMX | - | 808 | C18 H20 F3 N O3 S | CC(C)S(=O).... |
29 | 2ANJ | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
30 | 2XX8 | - | 1NE | C17 H18 F3 N3 O | CN(C)C(=O).... |
31 | 1P1Q | Kd = 12.8 uM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
32 | 2AL5 | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
33 | 5YBG | ic50 = 0.03 uM | 8SO | C21 H30 N2 O4 S2 | C[C@@H](CN.... |
34 | 1M5E | ic50 = 20.1 nM | AM1 | C8 H10 N2 O5 | Cc1c(c(no1.... |
35 | 3BKI | ic50 = 7.6 uM | FQX | C8 H4 N4 O4 | c1c2c(cc3c.... |
36 | 2AIX | - | U1K | C10 H16 N2 O3 S | CC(C)(C)c1.... |
37 | 3B6W | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
38 | 2I3W | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
39 | 3O6H | - | O25 | C18 H22 F3 N5 O2 S | CCNCc1cn(n.... |
40 | 3KGC | - | ZK1 | C14 H15 F3 N3 O6 P | c1c(c(cc2c.... |
41 | 3BFU | Ki = 531 nM | R2P | C5 H7 N3 O3 S | C(c1c(nsn1.... |
42 | 3UA8 | ic50 = 14 nM | 08W | C15 H13 F3 N6 O5 S | CNC(=O)c1c.... |
43 | 4LZ7 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
44 | 1FTL | ic50 = 998 nM | DNQ | C8 H2 N4 O6 | C1=C(C(=CC.... |
45 | 3B6Q | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
46 | 3RN8 | - | RN8 | C22 H16 N2 O4 S2 | CCc1c(c(c(.... |
47 | 1P1W | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
48 | 1MQI | ic50 = 23.53 nM | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
49 | 3O29 | - | O29 | C23 H30 F3 N5 O2 S | CN(C)CCNC(.... |
50 | 1FTJ | ic50 = 821 nM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
51 | 3PD9 | Ki = 494 nM | HA5 | C7 H8 N2 O4 | C1c2c(onc2.... |
52 | 1M5B | ic50 = 9.7 nM | BN1 | C8 H10 N6 O4 | Cn1nc(nn1).... |
53 | 3EN3 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
54 | 1SYH | Ki = 393 nM | CPW | C10 H13 N3 O4 | C1CC2=C(C1.... |
55 | 4X48 | - | XPF | C18 H20 N2 O4 S2 | CC(C)S(=O).... |
56 | 3H6W | - | NS7 | C19 H29 N3 O4 S2 | Cc1cc2c(cc.... |
57 | 1MY4 | - | IWD | C7 H8 I N3 O4 | C1=C(C(=O).... |
58 | 4IGT | Ki = 40.8 uM | 3ZA | C9 H16 N2 O6 | CN(C(=O)CC.... |
59 | 3M3L | - | P99 | C16 H16 F2 N2 O4 S2 | c1ccc(cc1).... |
60 | 5CBR | Kd = 1.8 uM | 4ZK | C14 H12 Cl2 N2 O3 | c1c(cc(c(c.... |
61 | 4GXS | - | 0YS | C18 H21 Cl2 N3 O9 | c1c(cc(c(c.... |
62 | 4U21 | - | FWF | C24 H36 N2 O4 S2 | C[C@@H](CN.... |
63 | 4YMA | - | 4E5 | C12 H13 N O5 | c1c(cc(cc1.... |
64 | 1FW0 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
65 | 1LB8 | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
66 | 3FAS | Ki = 171 nM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
67 | 4U22 | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
68 | 4ISU | Ki = 0.21 mM | IKM | C12 H14 N2 O6 | C1C=C[C@H].... |
69 | 1MXU | ic50 = 4 uM | BWD | C7 H8 Br N3 O4 | C1=C(C(=O).... |
70 | 4U4X | Kd = 9.8 uM | 3C2 | C8 H11 N3 O2 S | CCN1CNS(=O.... |
71 | 1MM7 | ic50 = 20 nM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
72 | 2XX9 | - | 1NF | C19 H19 F4 N3 O | c1cc(c(cc1.... |
73 | 3M3K | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
74 | 2XXH | - | 1NG | C20 H22 F3 N3 O | c1cc(ccc1C.... |
75 | 5FHM | - | 5XP | C15 H17 N7 O4 | c1cc(cc(c1.... |
76 | 4N07 | Kd = 0.35 uM | 2J9 | C10 H11 F N2 O2 S | c1cc2c(cc1.... |
77 | 3IJO | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
78 | 3RNN | - | RNN | C16 H28 N2 O4 S2 | CC(C)S(=O).... |
79 | 2AL4 | - | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
80 | 4LZ5 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
81 | 4U4S | Kd = 1200 uM | 3C1 | C8 H11 N3 O2 S | CCN1CNS(=O.... |
82 | 4G8M | Kd = 12.8 nM | G8M | C7 H11 N O4 | C1C[C@@H](.... |
83 | 3H6T | - | CYZ | C14 H16 Cl N3 O4 S2 | c1c2c(cc(c.... |
84 | 3O6G | - | O27 | C23 H28 F3 N5 O2 S | C1CCc2c(c(.... |
85 | 1NNP | - | CE2 | C10 H15 N2 O4 | CC(C)(C)c1.... |
86 | 5YBF | Kd = 543 nM | 8SR | C16 H17 F3 N4 O2 S | Cc1cc(nn1C.... |
87 | 1P1N | Kd = 0.16 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
88 | 1M5D | ic50 = 9.2 uM | BRH | C6 H7 Br N2 O4 | C(c1c(c(no.... |
89 | 3IK6 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
90 | 2XXI | - | JAC | C18 H18 F3 N3 O2 | c1cc(ccc1C.... |
91 | 4O3A | Ki = 2.57 mM | ASP | C4 H7 N O4 | C([C@@H](C.... |
92 | 3B6T | - | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
93 | 4FAT | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
94 | 3H6U | - | NS3 | C18 H28 N4 O4 S2 | Cc1cc2c(cc.... |
95 | 1NNK | ic50 = 3.5 uM | CE2 | C10 H15 N2 O4 | CC(C)(C)c1.... |
96 | 3FAT | Ki = 22.8 nM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
97 | 3T9X | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
98 | 1MY2 | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
99 | 3ILT | - | TRU | C8 H8 Cl3 N3 O4 S2 | c1c2c(cc(c.... |
100 | 3O6I | - | O26 | C20 H29 N5 O2 S | CC(C)(C)c1.... |
101 | 3DLN | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
102 | 3RTW | - | NWD | C7 H8 N4 O6 | C1=C(C(=O).... |
103 | 1MQD | ic50 = 0.17 uM | SHI | C6 H8 N2 O4 | c1c(c(no1).... |
104 | 3T93 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
105 | 4F29 | Ki = 0.168 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
106 | 1MS7 | ic50 = 0.17 uM | SHI | C6 H8 N2 O4 | c1c(c(no1).... |
107 | 3R7X | ic50 = 0.082 uM | QSN | C12 H10 N6 O6 S | CS(=O)(=O).... |
108 | 3BFT | Ki = 323 nM | S2P | C5 H7 N3 O3 S | C(c1c(nsn1.... |
109 | 5JEI | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
110 | 3O28 | - | O28 | C19 H21 F3 N4 O2 S | C1CCc2c(c(.... |
111 | 4IY6 | - | MQS | C15 H17 N3 O | C[C@H]1CCC.... |
112 | 3LSL | - | PZI | C6 H10 N2 O2 | C1CC(=O)N(.... |
113 | 2XX7 | - | 1ND | C19 H20 F3 N3 O | c1cc(ccc1C.... |
114 | 1FTM | Kd = 24.8 nM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
115 | 2GFE | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
116 | 4F31 | Ki = 2.08 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
117 | 3T9U | - | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
118 | 3T96 | - | IWD | C7 H8 I N3 O4 | C1=C(C(=O).... |
119 | 3KFM | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
120 | 2I3V | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
121 | 3T9H | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
122 | 3PMW | - | G69 | C18 H22 F3 N3 O3 S | CC(C)S(=O).... |
123 | 3H6V | - | NS6 | C18 H27 N3 O4 S2 | CN1CCN(CC1.... |
124 | 1LBB | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
125 | 5BUU | - | 4V6 | C10 H13 Cl N2 O2 S | C[C@@H]1N(.... |
126 | 3H03 | ic50 = 135 uM | UBP | C10 H13 N3 O6 | C1=CN(C(=O.... |
127 | 1LB9 | - | DNQ | C8 H2 N4 O6 | C1=C(C(=CC.... |
128 | 1N0T | ic50 = 12.2 uM | AT1 | C11 H19 N2 O7 P | CC(C)(C)c1.... |
129 | 3T9V | - | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
130 | 1GR2 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
131 | 5OEW | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
132 | 3IL1 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
133 | 3DP6 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
134 | 4O3C | Ki = 2.57 mM | ASP | C4 H7 N O4 | C([C@@H](C.... |
135 | 3RTF | - | CWD | C7 H8 Cl N3 O4 | C1=C(C(=O).... |
136 | 6FAZ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
137 | 1MM6 | ic50 = 20 nM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
138 | 4F3G | Ki = 3.44 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
139 | 4IY5 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
140 | 4F39 | Ki = 3.44 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
141 | 5FHO | - | 5XN | C14 H14 Cl N6 O4 | c1cc(cc(c1.... |
142 | 2P2A | Ki = 0.75 uM | MP9 | C14 H14 N6 O4 | c1ccc(cc1).... |
143 | 3TZA | ic50 = 3.4 uM | TZG | C12 H13 Cl N2 O6 | c1c(c(cc(c.... |
144 | 5NIH | Ki = 237 nM | 8VE | C8 H11 N3 O4 | CN1[C@H]2C.... |
145 | 3O2A | - | O30 | C22 H28 F3 N5 O2 S | C1CCc2c(c(.... |
146 | 4LZ8 | - | 1YX | C19 H27 F N4 O4 S | CC(C)S(=O).... |
147 | 1MQJ | ic50 = 4.76 uM | HWD | C7 H9 N3 O4 | C1=CN(C(=O.... |
148 | 5NG9 | Ki = 403 nM | 8VN | C7 H8 N2 O5 | C1[C@H]2[C.... |
149 | 5NS9 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
150 | 4F1Y | Kd = 0.96 uM | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
151 | 5ELV | Kd = 0.16 uM | 5PX | C10 H12 N2 O3 S | c1cc2c(cc1.... |
152 | 4U1O | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
153 | 1LBC | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
154 | 3TDJ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
155 | 5FHN | - | 5XO | C15 H16 N6 O4 | Cc1cccc(c1.... |
156 | 4QF9 | Ki = 16.1 uM | 35K | C12 H13 N3 O4 | c1cc2c(cc1.... |
157 | 1TXF | Ki = 57.2 nM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
158 | 3GBB | Ki = 126 nM | MS8 | C11 H17 N O6 | C1C[C@@H]2.... |
159 | 5MFQ | - | 2J9 | C10 H11 F N2 O2 S | c1cc2c(cc1.... |
160 | 3FVN | Ki = 169 nM | 9DX | C11 H17 N O7 | C1CO[C@@H].... |
161 | 1YCJ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
162 | 3C35 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
163 | 5MFW | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
164 | 3C31 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
165 | 3FV1 | Ki = 0.5 nM | DYH | C12 H20 N2 O7 | CN[C@@H]1[.... |
166 | 3C34 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
167 | 2F36 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
168 | 3GBA | Ki = 0.848 nM | DYH | C12 H20 N2 O7 | CN[C@@H]1[.... |
169 | 3FV2 | Ki = 7.7 nM | NDZ | C11 H17 N O8 | C1[C@@H]2[.... |
170 | 2QS4 | Kd = 38 nM | LY5 | C16 H24 F2 N2 O4 | C1C[C@H]2C.... |
171 | 2QS3 | Kd = 1.4 nM | UBE | C20 H19 N3 O6 S | CC1=CN(C(=.... |
172 | 2OJT | - | UBA | C14 H15 N3 O6 S | CC1=CN(C(=.... |
173 | 3C33 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
174 | 2WKY | Ki = 2.57 nM | IBC | C11 H14 N2 O4 | C1CC=C(c2c.... |
175 | 2PBW | Ki = 5.56 nM | DOQ | C15 H21 N O6 | C[C@H](C=C.... |
176 | 4YMB | Ki = 0.62 uM | 4E7 | C15 H19 N O4 | CCC[C@@H]1.... |
177 | 3FVG | Ki = 128 nM | MS8 | C11 H17 N O6 | C1C[C@@H]2.... |
178 | 3C36 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
179 | 2F34 | Kd = 0.13 uM | UBA | C14 H15 N3 O6 S | CC1=CN(C(=.... |
180 | 3C32 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
181 | 2QS2 | Kd = 186 nM | UBF | C13 H12 Br N3 O6 S | c1csc(c1CN.... |
182 | 4DLD | Ki = 1.5 uM | TZG | C12 H13 Cl N2 O6 | c1c(c(cc(c.... |
183 | 3FVK | Ki = 1.5 nM | 8DX | C11 H17 N O7 | C1[C@@H](C.... |
184 | 2ZNU | Ki = 7.7 nM | NDZ | C11 H17 N O8 | C1[C@@H]2[.... |
185 | 3S2V | Ki = 157 nM | 3HU | C15 H13 N3 O6 S2 | c1csc(c1CN.... |
186 | 2QS1 | Kd = 33 nM | UB1 | C14 H13 Br2 N3 O6 S | CC1=CN(C(=.... |
187 | 4E0X | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
188 | 5MFV | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
189 | 2ZNT | Ki = 0.5 nM | DYH | C12 H20 N2 O7 | CN[C@@H]1[.... |
190 | 2F35 | Kd = 3.94 uM | UBC | C15 H15 N3 O6 | c1ccc(c(c1.... |
191 | 5NEB | Ki = 85 nM | 8VE | C8 H11 N3 O4 | CN1[C@H]2C.... |
192 | 1VSO | Ki = 18980 nM | AT1 | C11 H19 N2 O7 P | CC(C)(C)c1.... |
193 | 4MH5 | Ki = 7.43 uM | GGL | C5 H9 N O4 | C(CC(=O)O).... |
194 | 3U92 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
195 | 4E0W | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
196 | 5O4F | Ki = 22 nM | 8VE | C8 H11 N3 O4 | CN1[C@H]2C.... |
197 | 4NWC | Ki = 1.74 uM | 2QE | C9 H15 N O6 | COC(=O)CC[.... |
198 | 4G8N | Kd = 63 nM | G8M | C7 H11 N O4 | C1C[C@@H](.... |
199 | 6F28 | Ki = 2.15 uM | CG8 | C10 H14 N4 O4 | CN1CC2=C(C.... |
200 | 5EHM | - | OEM | C5 H9 N O4 | CN[C@H](CC.... |
201 | 5EHS | - | 2JJ | C5 H12 N O5 P | C(C[C@H](C.... |
202 | 5DTB | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
203 | 4F2O | Ki = 0.042 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
204 | 3DP4 | Kd = 43 nM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
205 | 4F22 | Ki = 30.26 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
206 | 4F3B | Ki = 1.271 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
207 | 4F2Q | Ki = 0.042 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
208 | 3RT8 | - | CWD | C7 H8 Cl N3 O4 | C1=C(C(=O).... |
209 | 3M3F | - | P99 | C16 H16 F2 N2 O4 S2 | c1ccc(cc1).... |
210 | 3LSX | - | PZI | C6 H10 N2 O2 | C1CC(=O)N(.... |
211 | 3LSW | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
212 | 4H8I | - | 11W | C20 H21 N3 O4 | c1ccc(cc1).... |
213 | 4BDQ | - | CYS | C3 H7 N O2 S | C([C@@H](C.... |
214 | 2XXW | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
215 | 1SD3 | - | SYM | C6 H10 N O4 | C[C@H](C[C.... |
216 | 2XXX | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
217 | 2XXR | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
218 | 3QXM | Ki = 33 nM | NDZ | C11 H17 N O8 | C1[C@@H]2[.... |
219 | 1S9T | Ki = 253 nM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
220 | 4BDR | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
221 | 2XXT | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
222 | 5CMM | - | SYM | C6 H10 N O4 | C[C@H](C[C.... |
223 | 2XXU | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
224 | 4BDN | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
225 | 1S50 | Ki = 1.4 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
226 | 2XXV | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
227 | 5CMK | ic50 = 30 nM | LY5 | C16 H24 F2 N2 O4 | C1C[C@H]2C.... |
228 | 4BDL | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
229 | 1S7Y | Ki = 1.4 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
230 | 1TT1 | Ki = 64.6 nM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
231 | 5IKB | Kd = 1.9 nM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
232 | 5DT6 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
233 | 5ICT | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 174 families. | |||||
1 | 4O3B | Ki = 0.82 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
2 | 5CBS | Kd = 3.9 uM | E42 | C15 H15 N O3 | c1cc(cc(c1.... |
3 | 3PD8 | Ki = 108 nM | HA7 | C7 H8 N2 O4 | C1CN[C@@H].... |
4 | 1P1O | Kd = 1.74 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
5 | 1MQH | ic50 = 0.3 uM | BWD | C7 H8 Br N3 O4 | C1=C(C(=O).... |
6 | 1FTK | ic50 = 14.5 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
7 | 3TKD | - | CYZ | C14 H16 Cl N3 O4 S2 | c1c2c(cc(c.... |
8 | 1M5F | ic50 = 14.8 nM | AM1 | C8 H10 N2 O5 | Cc1c(c(no1.... |
9 | 5FTI | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
10 | 1XHY | Ki = 624 nM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
11 | 1M5C | ic50 = 0.5 uM | BRH | C6 H7 Br N2 O4 | C(c1c(c(no.... |
12 | 1SYI | Ki = 3330 nM | CPW | C10 H13 N3 O4 | C1CC2=C(C1.... |
13 | 5O9A | - | 7M6 | C9 H10 Cl F N2 O2 S | c1cc2c(cc1.... |
14 | 1MY3 | - | BWD | C7 H8 Br N3 O4 | C1=C(C(=O).... |
15 | 3ILU | - | HFZ | C8 H8 F3 N3 O4 S2 | c1c(c(cc2c.... |
16 | 3PMV | - | 557 | C17 H22 F3 N3 O3 S | C[C@H](CNS.... |
17 | 5H8S | - | 5YC | C15 H16 N4 O S | CCN(CC1=CC.... |
18 | 2XHD | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
19 | 3B7D | - | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
20 | 4U1Z | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
21 | 1WVJ | Ki = 185 nM | IBC | C11 H14 N2 O4 | C1CC=C(c2c.... |
22 | 1P1U | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
23 | 4Q30 | - | NWD | C7 H8 N4 O6 | C1=C(C(=O).... |
24 | 4U23 | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
25 | 1MQG | ic50 = 0.52 uM | IWD | C7 H8 I N3 O4 | C1=C(C(=O).... |
26 | 3BBR | - | BHY | C20 H28 N2 O4 S2 | C[C@@H](CN.... |
27 | 3LSF | - | PZI | C6 H10 N2 O2 | C1CC(=O)N(.... |
28 | 3PMX | - | 808 | C18 H20 F3 N O3 S | CC(C)S(=O).... |
29 | 2ANJ | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
30 | 2XX8 | - | 1NE | C17 H18 F3 N3 O | CN(C)C(=O).... |
31 | 1P1Q | Kd = 12.8 uM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
32 | 2AL5 | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
33 | 5YBG | ic50 = 0.03 uM | 8SO | C21 H30 N2 O4 S2 | C[C@@H](CN.... |
34 | 1M5E | ic50 = 20.1 nM | AM1 | C8 H10 N2 O5 | Cc1c(c(no1.... |
35 | 3BKI | ic50 = 7.6 uM | FQX | C8 H4 N4 O4 | c1c2c(cc3c.... |
36 | 2AIX | - | U1K | C10 H16 N2 O3 S | CC(C)(C)c1.... |
37 | 3B6W | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
38 | 2I3W | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
39 | 3O6H | - | O25 | C18 H22 F3 N5 O2 S | CCNCc1cn(n.... |
40 | 3KGC | - | ZK1 | C14 H15 F3 N3 O6 P | c1c(c(cc2c.... |
41 | 3BFU | Ki = 531 nM | R2P | C5 H7 N3 O3 S | C(c1c(nsn1.... |
42 | 3UA8 | ic50 = 14 nM | 08W | C15 H13 F3 N6 O5 S | CNC(=O)c1c.... |
43 | 4LZ7 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
44 | 1FTL | ic50 = 998 nM | DNQ | C8 H2 N4 O6 | C1=C(C(=CC.... |
45 | 3B6Q | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
46 | 3RN8 | - | RN8 | C22 H16 N2 O4 S2 | CCc1c(c(c(.... |
47 | 1P1W | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
48 | 1MQI | ic50 = 23.53 nM | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
49 | 3O29 | - | O29 | C23 H30 F3 N5 O2 S | CN(C)CCNC(.... |
50 | 1FTJ | ic50 = 821 nM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
51 | 3PD9 | Ki = 494 nM | HA5 | C7 H8 N2 O4 | C1c2c(onc2.... |
52 | 1M5B | ic50 = 9.7 nM | BN1 | C8 H10 N6 O4 | Cn1nc(nn1).... |
53 | 3EN3 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
54 | 1SYH | Ki = 393 nM | CPW | C10 H13 N3 O4 | C1CC2=C(C1.... |
55 | 4X48 | - | XPF | C18 H20 N2 O4 S2 | CC(C)S(=O).... |
56 | 3H6W | - | NS7 | C19 H29 N3 O4 S2 | Cc1cc2c(cc.... |
57 | 1MY4 | - | IWD | C7 H8 I N3 O4 | C1=C(C(=O).... |
58 | 4IGT | Ki = 40.8 uM | 3ZA | C9 H16 N2 O6 | CN(C(=O)CC.... |
59 | 3M3L | - | P99 | C16 H16 F2 N2 O4 S2 | c1ccc(cc1).... |
60 | 5CBR | Kd = 1.8 uM | 4ZK | C14 H12 Cl2 N2 O3 | c1c(cc(c(c.... |
61 | 4GXS | - | 0YS | C18 H21 Cl2 N3 O9 | c1c(cc(c(c.... |
62 | 4U21 | - | FWF | C24 H36 N2 O4 S2 | C[C@@H](CN.... |
63 | 4YMA | - | 4E5 | C12 H13 N O5 | c1c(cc(cc1.... |
64 | 1FW0 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
65 | 1LB8 | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
66 | 3FAS | Ki = 171 nM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
67 | 4U22 | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
68 | 4ISU | Ki = 0.21 mM | IKM | C12 H14 N2 O6 | C1C=C[C@H].... |
69 | 1MXU | ic50 = 4 uM | BWD | C7 H8 Br N3 O4 | C1=C(C(=O).... |
70 | 4U4X | Kd = 9.8 uM | 3C2 | C8 H11 N3 O2 S | CCN1CNS(=O.... |
71 | 1MM7 | ic50 = 20 nM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
72 | 2XX9 | - | 1NF | C19 H19 F4 N3 O | c1cc(c(cc1.... |
73 | 3M3K | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
74 | 2XXH | - | 1NG | C20 H22 F3 N3 O | c1cc(ccc1C.... |
75 | 5FHM | - | 5XP | C15 H17 N7 O4 | c1cc(cc(c1.... |
76 | 4N07 | Kd = 0.35 uM | 2J9 | C10 H11 F N2 O2 S | c1cc2c(cc1.... |
77 | 3IJO | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
78 | 3RNN | - | RNN | C16 H28 N2 O4 S2 | CC(C)S(=O).... |
79 | 2AL4 | - | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
80 | 4LZ5 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
81 | 4U4S | Kd = 1200 uM | 3C1 | C8 H11 N3 O2 S | CCN1CNS(=O.... |
82 | 4G8M | Kd = 12.8 nM | G8M | C7 H11 N O4 | C1C[C@@H](.... |
83 | 3H6T | - | CYZ | C14 H16 Cl N3 O4 S2 | c1c2c(cc(c.... |
84 | 3O6G | - | O27 | C23 H28 F3 N5 O2 S | C1CCc2c(c(.... |
85 | 1NNP | - | CE2 | C10 H15 N2 O4 | CC(C)(C)c1.... |
86 | 5YBF | Kd = 543 nM | 8SR | C16 H17 F3 N4 O2 S | Cc1cc(nn1C.... |
87 | 1P1N | Kd = 0.16 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
88 | 1M5D | ic50 = 9.2 uM | BRH | C6 H7 Br N2 O4 | C(c1c(c(no.... |
89 | 3IK6 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
90 | 2XXI | - | JAC | C18 H18 F3 N3 O2 | c1cc(ccc1C.... |
91 | 4O3A | Ki = 2.57 mM | ASP | C4 H7 N O4 | C([C@@H](C.... |
92 | 3B6T | - | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
93 | 4FAT | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
94 | 3H6U | - | NS3 | C18 H28 N4 O4 S2 | Cc1cc2c(cc.... |
95 | 1NNK | ic50 = 3.5 uM | CE2 | C10 H15 N2 O4 | CC(C)(C)c1.... |
96 | 3FAT | Ki = 22.8 nM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
97 | 3T9X | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
98 | 1MY2 | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
99 | 3ILT | - | TRU | C8 H8 Cl3 N3 O4 S2 | c1c2c(cc(c.... |
100 | 3O6I | - | O26 | C20 H29 N5 O2 S | CC(C)(C)c1.... |
101 | 3DLN | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
102 | 3RTW | - | NWD | C7 H8 N4 O6 | C1=C(C(=O).... |
103 | 1MQD | ic50 = 0.17 uM | SHI | C6 H8 N2 O4 | c1c(c(no1).... |
104 | 3T93 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
105 | 4F29 | Ki = 0.168 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
106 | 1MS7 | ic50 = 0.17 uM | SHI | C6 H8 N2 O4 | c1c(c(no1).... |
107 | 3R7X | ic50 = 0.082 uM | QSN | C12 H10 N6 O6 S | CS(=O)(=O).... |
108 | 3BFT | Ki = 323 nM | S2P | C5 H7 N3 O3 S | C(c1c(nsn1.... |
109 | 5JEI | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
110 | 3O28 | - | O28 | C19 H21 F3 N4 O2 S | C1CCc2c(c(.... |
111 | 4IY6 | - | MQS | C15 H17 N3 O | C[C@H]1CCC.... |
112 | 3LSL | - | PZI | C6 H10 N2 O2 | C1CC(=O)N(.... |
113 | 2XX7 | - | 1ND | C19 H20 F3 N3 O | c1cc(ccc1C.... |
114 | 1FTM | Kd = 24.8 nM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
115 | 2GFE | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
116 | 4F31 | Ki = 2.08 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
117 | 3T9U | - | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
118 | 3T96 | - | IWD | C7 H8 I N3 O4 | C1=C(C(=O).... |
119 | 3KFM | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
120 | 2I3V | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
121 | 3T9H | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
122 | 3PMW | - | G69 | C18 H22 F3 N3 O3 S | CC(C)S(=O).... |
123 | 3H6V | - | NS6 | C18 H27 N3 O4 S2 | CN1CCN(CC1.... |
124 | 1LBB | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
125 | 5BUU | - | 4V6 | C10 H13 Cl N2 O2 S | C[C@@H]1N(.... |
126 | 3H03 | ic50 = 135 uM | UBP | C10 H13 N3 O6 | C1=CN(C(=O.... |
127 | 1LB9 | - | DNQ | C8 H2 N4 O6 | C1=C(C(=CC.... |
128 | 1N0T | ic50 = 12.2 uM | AT1 | C11 H19 N2 O7 P | CC(C)(C)c1.... |
129 | 3T9V | - | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
130 | 1GR2 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
131 | 5OEW | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
132 | 3IL1 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
133 | 3DP6 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
134 | 4O3C | Ki = 2.57 mM | ASP | C4 H7 N O4 | C([C@@H](C.... |
135 | 3RTF | - | CWD | C7 H8 Cl N3 O4 | C1=C(C(=O).... |
136 | 6FAZ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
137 | 1MM6 | ic50 = 20 nM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
138 | 4F3G | Ki = 3.44 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
139 | 4IY5 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
140 | 4F39 | Ki = 3.44 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
141 | 5FHO | - | 5XN | C14 H14 Cl N6 O4 | c1cc(cc(c1.... |
142 | 2P2A | Ki = 0.75 uM | MP9 | C14 H14 N6 O4 | c1ccc(cc1).... |
143 | 3TZA | ic50 = 3.4 uM | TZG | C12 H13 Cl N2 O6 | c1c(c(cc(c.... |
144 | 5NIH | Ki = 237 nM | 8VE | C8 H11 N3 O4 | CN1[C@H]2C.... |
145 | 3O2A | - | O30 | C22 H28 F3 N5 O2 S | C1CCc2c(c(.... |
146 | 4LZ8 | - | 1YX | C19 H27 F N4 O4 S | CC(C)S(=O).... |
147 | 1MQJ | ic50 = 4.76 uM | HWD | C7 H9 N3 O4 | C1=CN(C(=O.... |
148 | 5NG9 | Ki = 403 nM | 8VN | C7 H8 N2 O5 | C1[C@H]2[C.... |
149 | 5NS9 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
150 | 4F1Y | Kd = 0.96 uM | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
151 | 5ELV | Kd = 0.16 uM | 5PX | C10 H12 N2 O3 S | c1cc2c(cc1.... |
152 | 4U1O | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
153 | 1LBC | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
154 | 3TDJ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
155 | 5FHN | - | 5XO | C15 H16 N6 O4 | Cc1cccc(c1.... |
156 | 4QF9 | Ki = 16.1 uM | 35K | C12 H13 N3 O4 | c1cc2c(cc1.... |
157 | 1TXF | Ki = 57.2 nM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
158 | 3GBB | Ki = 126 nM | MS8 | C11 H17 N O6 | C1C[C@@H]2.... |
159 | 5MFQ | - | 2J9 | C10 H11 F N2 O2 S | c1cc2c(cc1.... |
160 | 3FVN | Ki = 169 nM | 9DX | C11 H17 N O7 | C1CO[C@@H].... |
161 | 1YCJ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
162 | 3C35 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
163 | 5MFW | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
164 | 3C31 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
165 | 3FV1 | Ki = 0.5 nM | DYH | C12 H20 N2 O7 | CN[C@@H]1[.... |
166 | 3C34 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
167 | 2F36 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
168 | 3GBA | Ki = 0.848 nM | DYH | C12 H20 N2 O7 | CN[C@@H]1[.... |
169 | 3FV2 | Ki = 7.7 nM | NDZ | C11 H17 N O8 | C1[C@@H]2[.... |
170 | 2QS4 | Kd = 38 nM | LY5 | C16 H24 F2 N2 O4 | C1C[C@H]2C.... |
171 | 2QS3 | Kd = 1.4 nM | UBE | C20 H19 N3 O6 S | CC1=CN(C(=.... |
172 | 2OJT | - | UBA | C14 H15 N3 O6 S | CC1=CN(C(=.... |
173 | 3C33 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
174 | 2WKY | Ki = 2.57 nM | IBC | C11 H14 N2 O4 | C1CC=C(c2c.... |
175 | 2PBW | Ki = 5.56 nM | DOQ | C15 H21 N O6 | C[C@H](C=C.... |
176 | 4YMB | Ki = 0.62 uM | 4E7 | C15 H19 N O4 | CCC[C@@H]1.... |
177 | 3FVG | Ki = 128 nM | MS8 | C11 H17 N O6 | C1C[C@@H]2.... |
178 | 3C36 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
179 | 2F34 | Kd = 0.13 uM | UBA | C14 H15 N3 O6 S | CC1=CN(C(=.... |
180 | 3C32 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
181 | 2QS2 | Kd = 186 nM | UBF | C13 H12 Br N3 O6 S | c1csc(c1CN.... |
182 | 4DLD | Ki = 1.5 uM | TZG | C12 H13 Cl N2 O6 | c1c(c(cc(c.... |
183 | 3FVK | Ki = 1.5 nM | 8DX | C11 H17 N O7 | C1[C@@H](C.... |
184 | 2ZNU | Ki = 7.7 nM | NDZ | C11 H17 N O8 | C1[C@@H]2[.... |
185 | 3S2V | Ki = 157 nM | 3HU | C15 H13 N3 O6 S2 | c1csc(c1CN.... |
186 | 2QS1 | Kd = 33 nM | UB1 | C14 H13 Br2 N3 O6 S | CC1=CN(C(=.... |
187 | 4E0X | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
188 | 5MFV | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
189 | 2ZNT | Ki = 0.5 nM | DYH | C12 H20 N2 O7 | CN[C@@H]1[.... |
190 | 2F35 | Kd = 3.94 uM | UBC | C15 H15 N3 O6 | c1ccc(c(c1.... |
191 | 5NEB | Ki = 85 nM | 8VE | C8 H11 N3 O4 | CN1[C@H]2C.... |
192 | 1VSO | Ki = 18980 nM | AT1 | C11 H19 N2 O7 P | CC(C)(C)c1.... |
193 | 5CC2 | Kd = 80 uM | CKA | C10 H6 Cl N O3 | c1cc2c(cc1.... |
194 | 2V3U | Kd = 1 mM | DSN | C3 H7 N O3 | C([C@H](C(.... |
195 | 4MH5 | Ki = 7.43 uM | GGL | C5 H9 N O4 | C(CC(=O)O).... |
196 | 3U92 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
197 | 4E0W | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
198 | 5O4F | Ki = 22 nM | 8VE | C8 H11 N3 O4 | CN1[C@H]2C.... |
199 | 4NWC | Ki = 1.74 uM | 2QE | C9 H15 N O6 | COC(=O)CC[.... |
200 | 4G8N | Kd = 63 nM | G8M | C7 H11 N O4 | C1C[C@@H](.... |
201 | 6F28 | Ki = 2.15 uM | CG8 | C10 H14 N4 O4 | CN1CC2=C(C.... |
202 | 5CMB | Kd = 28.3 nM | GLY | C2 H5 N O2 | C(C(=O)O)N |
203 | 4YKJ | Ki = 37 uM | ALA | C3 H7 N O2 | C[C@@H](C(.... |
204 | 4YKI | Kd = 2.7 nM | GLY | C2 H5 N O2 | C(C(=O)O)N |
205 | 4YKP | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
206 | 5EHM | - | OEM | C5 H9 N O4 | CN[C@H](CC.... |
207 | 5EHS | - | 2JJ | C5 H12 N O5 P | C(C[C@H](C.... |
208 | 5DTB | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
209 | 4F2O | Ki = 0.042 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
210 | 3DP4 | Kd = 43 nM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
211 | 4F22 | Ki = 30.26 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
212 | 4F3B | Ki = 1.271 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
213 | 4F2Q | Ki = 0.042 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
214 | 3RT8 | - | CWD | C7 H8 Cl N3 O4 | C1=C(C(=O).... |
215 | 3M3F | - | P99 | C16 H16 F2 N2 O4 S2 | c1ccc(cc1).... |
216 | 3LSX | - | PZI | C6 H10 N2 O2 | C1CC(=O)N(.... |
217 | 3LSW | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
218 | 4WXJ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
219 | 4H8I | - | 11W | C20 H21 N3 O4 | c1ccc(cc1).... |
220 | 4BDQ | - | CYS | C3 H7 N O2 S | C([C@@H](C.... |
221 | 2XXW | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
222 | 1SD3 | - | SYM | C6 H10 N O4 | C[C@H](C[C.... |
223 | 2XXX | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
224 | 2XXR | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
225 | 3QXM | Ki = 33 nM | NDZ | C11 H17 N O8 | C1[C@@H]2[.... |
226 | 1S9T | Ki = 253 nM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
227 | 4BDR | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
228 | 2XXT | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
229 | 5CMM | - | SYM | C6 H10 N O4 | C[C@H](C[C.... |
230 | 2XXU | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
231 | 4BDN | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
232 | 1S50 | Ki = 1.4 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
233 | 2XXV | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
234 | 5CMK | ic50 = 30 nM | LY5 | C16 H24 F2 N2 O4 | C1C[C@H]2C.... |
235 | 4BDL | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
236 | 1S7Y | Ki = 1.4 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
237 | 1TT1 | Ki = 64.6 nM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
238 | 5IKB | Kd = 1.9 nM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
239 | 5DT6 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
240 | 5ICT | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8VE | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 5o4f.bio2) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3LN9 | FLC | None |
2 | 5ZI9 | FLC | None |
3 | 3MCT | 3MC | 0.775194 |
4 | 6HKE | LMR | 1.55039 |
5 | 6HKE | MLT | 1.55039 |
6 | 2ZJ3 | G6P | 2.32558 |
7 | 5ZBC | FAD | 2.32558 |
8 | 5G3U | ITW | 2.32558 |
9 | 2YG3 | FAD | 2.32558 |
10 | 5G3U | FDA | 2.32558 |
11 | 2F5X | ASP | 2.32558 |
12 | 2POC | BG6 | 2.71318 |
13 | 2J5V | PCA | 2.71318 |
14 | 5GSN | NAP | 2.71318 |
15 | 5GSN | FAD | 2.71318 |
16 | 2HJR | CIT | 2.71318 |
17 | 3ITJ | CIT | 3.10078 |
18 | 4LY9 | S6P | 3.10078 |
19 | 4LY9 | 1YY | 3.10078 |
20 | 5H5L | GSH | 3.46535 |
21 | 4RPM | HXC | 3.48837 |
22 | 5TVF | PUT | 3.52941 |
23 | 4JZ8 | CIT | 3.87597 |
24 | 3CRZ | FAD | 4.28016 |
25 | 1KJ8 | GAR | 4.65116 |
26 | 1Q19 | SSC | 5.03876 |
27 | 2VPN | 4CS | 5.03876 |
28 | 4B4D | FAD | 5.03876 |
29 | 1SNN | 5RP | 5.28634 |
30 | 2VHA | GLU | 5.81395 |
31 | 3JQQ | A2P | 5.81395 |
32 | 5OSW | DIU | 5.81395 |
33 | 3AYI | FAD | 6.20155 |
34 | 3AYI | HCI | 6.20155 |
35 | 1KYV | RBF | 6.91824 |
36 | 4LZJ | 22H | 6.97674 |
37 | 2Y7P | SAL | 7.33945 |
38 | 2B6N | ALA PRO THR | 7.36434 |
39 | 4RM0 | FUC NDG GAL | 7.36434 |
40 | 4RM0 | FUC NAG GAL | 7.36434 |
41 | 1U1W | 3HA | 7.38255 |
42 | 3G4Q | MCH | 7.53425 |
43 | 4KQ6 | DLZ | 7.82123 |
44 | 1H82 | GZZ | 8.13953 |
45 | 1H82 | FAD | 8.13953 |
46 | 2F7C | CCU | 8.15451 |
47 | 1MOQ | GLP | 8.52713 |
48 | 4AMV | F6R | 8.52713 |
49 | 2IZ1 | ATR | 8.91473 |
50 | 3WLV | AZA | 9.30233 |
51 | 1RRC | ADP | 9.30233 |
52 | 3WH2 | FLC | 9.52381 |
53 | 6H1U | ASP | 10.4651 |
54 | 1XT8 | CYS | 12.0155 |
55 | 3QMN | A3P | 13.1783 |
56 | 3B8I | OXL | 13.5659 |
57 | 5ECP | ATP | 13.5659 |
58 | 4C0R | GDS | 15.3226 |
59 | 5AA4 | 6X4 | 15.8915 |
60 | 3N26 | ARG | 17.4797 |
61 | 4DZ1 | DAL | 18.2171 |
62 | 2Q89 | 6CS | 19.0661 |
63 | 4KQP | GLN | 19.8276 |
64 | 5L9O | GOP | 21.3178 |
65 | 4POW | OP1 | 21.8868 |
66 | 2YJP | CYS | 22.093 |
67 | 5ORG | 6DB | 22.4806 |
68 | 6GPC | ARG | 34.127 |
69 | 3VV5 | SLZ | 35.3846 |
70 | 1HSL | HIS | 37.8151 |
71 | 4ZV1 | ARG | 43.7768 |
72 | 1II5 | GLU | 45.9227 |
This union binding pocket(no: 2) in the query (biounit: 5o4f.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3NW7 | LGV | 1.55039 |
2 | 6F9G | PUT | 1.55039 |
3 | 4QYS | PLP SEP | 1.55039 |
4 | 1PVN | MZP | 2.71318 |
5 | 1ME8 | RVP | 2.71318 |
6 | 4ZO3 | C6L | 2.71318 |
7 | 3WMX | THR | 2.71318 |
8 | 2HJR | APR | 2.71318 |
9 | 5DQ8 | FLF | 2.91667 |
10 | 4IVN | BMX | 3.10078 |
11 | 3DOO | SKM | 3.48837 |
12 | 3FSY | SCA | 3.87597 |
13 | 6AMI | TRP | 4.26357 |
14 | 6C92 | EGV | 4.26357 |
15 | 6G9I | CXX | 4.7619 |
16 | 2CI5 | HCS | 5.03876 |
17 | 1KPG | 16A | 5.03876 |
18 | 2ITM | XUL | 5.42636 |
19 | 1FC4 | AKB PLP | 5.42636 |
20 | 5HWO | HMG | 5.81395 |
21 | 4CQE | CQE | 10.4651 |
22 | 1LAF | ARG | 10.9244 |
23 | 5UY8 | AMZ | 12.0155 |
24 | 5UY8 | 8UM | 12.0155 |
25 | 2Y7I | ARG | 14.8472 |
26 | 4YMX | ARG | 21.3178 |